D157-0151 Screening compound: N-(3,5-dimethylphenyl)-2-[(6-fluoro-4-phenylquinazolin-2-yl)sulfanyl]acetamide

D157-0151 Screening compound: N-(3,5-dimethylphenyl)-2-[(6-fluoro-4-phenylquinazolin-2-yl)sulfanyl]acetamide
D157-0151 Screening compound: N-(3,5-dimethylphenyl)-2-[(6-fluoro-4-phenylquinazolin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D157-0151
N-(3,5-dimethylphenyl)-2-[(6-fluoro-4-phenylquinazolin-2-yl)sulfanyl]acetamide

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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D157-0151

Molecular Formula

C24H20FN3OS (C24 H20 FN3 OS)

Compound Name

N-(3,5-dimethylphenyl)-2-[(6-fluoro-4-phenylquinazolin-2-yl)sulfanyl]acetamide

IUPAC name

N-(35-dimethylphenyl)-2-[(6-fluoro-4-phenylquinazolin-2-yl)sulfanyl]acetamide

SMILES

Cc1cc(NC(CSc(nc(-c2ccccc2)c2c3)nc2ccc3F)=O)cc(C)c1

InChI

InChI=1S/C24H20FN3OS/c1-15-10-16(2)12-19(11-15)26-22(29)14-30-24-27-21-9-8-18(25)13-20(21)23(28-24)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,26,29)

InChI Key

VYFATPBBFPSPHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.934

Distribution Coefficient, logD

5.934

Water Solubility, LogSw

-5.56

Polar Surface Area

40.623

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D157-0151 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D157-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D157-0151?
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What is the minimum amount of D157-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D157-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D157-0151
  • 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 D157-0151 available by request