T654-0339 Screening compound: N-[(3-methoxyphenyl)methyl]-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-indole-1-carboxamide

Chemical Structure Depiction of ChemDiv screening compound T654-0339
N-[(3-methoxyphenyl)methyl]-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-indole-1-carboxamide

Available from 1 mg

Formats:

Glass Vials (4ml Glass Vials VWR #97047-678)
96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

T654-0339

Molecular Formula

C₂₄H₂₆N₄O₄ (C24 H26 N4 O4)

Compound Name

N-[(3-methoxyphenyl)methyl]-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-indole-1-carboxamide

IUPAC name

N-[(3-methoxyphenyl)methyl]-2-[5-(oxan-4-yl)-124-oxadiazol-3-yl]-23-dihydro-1H-indole-1-carboxamide

SMILES

COc1cccc(CNC(N(C(C2)c3noc(C4CCOCC4)n3)c3c2cccc3)=O)c1

InChI

InChI=1S/C24H26N4O4/c1-30-19-7-4-5-16(13-19)15-25-24(29)28-20-8-3-2-6-18(20)14-21(28)22-26-23(32-27-22)17-9-11-31-12-10-17/h2-8,13,17,21H,9-12,14-15H2,1H3,(H,25,29)

InChI Key

DFHJDFFAJDFHBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29002481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.337

Distribution Coefficient, logD

4.337

Water Solubility, LogSw

-4.41

Polar Surface Area

72.458

Acid Dissociation Constant (pK_a)

14.35

Base Dissociation Constant (pK_b)

-1.59

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

37.50

T654-0339 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

PI3K-Targeted Library (17255 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Cancer
Hemic and lymphatic
Cancer
Digestive system
Respiratory tract
Otorhinolaryngologic
Male
Female
Hemic and lymphatic
Skin
Cancer
Cancer
Musculoskeletal
Female
Hemic and lymphatic
Cardiovascular

Mechanism of action:

PPI modulators
PPI modulators
PPI modulators
PPI modulators
PPI modulators
PPI modulators
Epigenetic

Structure:

Cyclic compounds
Mimetics
Mimetics
Cyclic compounds

Targets:

Kinases

References: we are preparing a list of scientific research reports with T654-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T654-0339?
Check Price and Availability of T654-0339, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.

What is the minimum amount of T654-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for T654-0339
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for T654-0339

0.5–50 mg of dry powder sample in single glass vials, custom vials
DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of T654-0339 available by request