T655-0645 Screening compound: N-(3-fluoro-4-methylphenyl)-4-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

Chemical Structure Depiction of ChemDiv screening compound T655-0645
N-(3-fluoro-4-methylphenyl)-4-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-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

T655-0645

Molecular Formula

C₂₃H₂₄FN₅O₃ (C23 H24 FN5 O3)

Compound Name

N-(3-fluoro-4-methylphenyl)-4-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

IUPAC name

N-(3-fluoro-4-methylphenyl)-4-[5-(pyridin-4-yl)-134-oxadiazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

SMILES

Cc(ccc(NC(N(C1)CC2(CCOCC2)C1c1nnc(-c2ccncc2)o1)=O)c1)c1F

InChI

InChI=1S/C23H24FN5O3/c1-15-2-3-17(12-19(15)24)26-22(30)29-13-18(23(14-29)6-10-31-11-7-23)21-28-27-20(32-21)16-4-8-25-9-5-16/h2-5,8-9,12,18H,6-7,10-11,13-14H2,1H3,(H,26,30)/t18-/m0/s1

InChI Key

OPEPLHMCIPBCMK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD29004264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

2.845

Distribution Coefficient, logD

2.844

Water Solubility, LogSw

-2.98

Polar Surface Area

73.442

Acid Dissociation Constant (pK_a)

11.93

Base Dissociation Constant (pK_b)

4.57

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

39.10

T655-0645 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)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Peptidomimetic Library (37031 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Cancer
Hemic and lymphatic
Cancer

Mechanism of action:

PPI modulators
PPI modulators
PPI modulators
PPI modulators
PPI modulators
PPI modulators
PPI modulators

Structure:

Mimetics
Cyclic compounds
Cyclic compounds
Mimetics
Mimetics

References: we are preparing a list of scientific research reports with T655-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T655-0645?
Check Price and Availability of T655-0645, 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 T655-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for T655-0645
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for T655-0645

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 T655-0645 available by request