T654-0317 Screening compound: N~1~-(2,5-dimethylphenyl)-2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)-1-indolinecarboxamide

Chemical Structure Depiction of ChemDiv screening compound T654-0317
N~1~-(2,5-dimethylphenyl)-2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)-1-indolinecarboxamide

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

T654-0317

Molecular Formula

C₂₄H₂₆N₄O₃ (C24 H26 N4 O3)

Compound Name

N~1~-(2,5-dimethylphenyl)-2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)-1-indolinecarboxamide

IUPAC name

N-(25-dimethylphenyl)-2-[5-(oxan-4-yl)-124-oxadiazol-3-yl]-23-dihydro-1H-indole-1-carboxamide

SMILES

Cc1cc(NC(N(C(C2)c3noc(C4CCOCC4)n3)c3c2cccc3)=O)c(C)cc1

InChI

InChI=1S/C24H26N4O3/c1-15-7-8-16(2)19(13-15)25-24(29)28-20-6-4-3-5-18(20)14-21(28)22-26-23(31-27-22)17-9-11-30-12-10-17/h3-8,13,17,21H,9-12,14H2,1-2H3,(H,25,29)/t21-/m0/s1

InChI Key

AGZLRVGBCKRPAX-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.971

Distribution Coefficient, logD

4.971

Water Solubility, LogSw

-4.60

Polar Surface Area

62.895

Acid Dissociation Constant (pK_a)

13.30

Base Dissociation Constant (pK_b)

-0.59

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

37.50

T654-0317 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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)

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:

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
Epigenetic

Structure:

Cyclic compounds
Mimetics
Cyclic compounds

Targets:

Kinases

References: we are preparing a list of scientific research reports with T654-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T654-0317?
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What is the minimum amount of T654-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for T654-0317
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for T654-0317

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 T654-0317 available by request