D157-0133 Screening compound: 2-{[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

D157-0133 Screening compound: 2-{[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
D157-0133 Screening compound: 2-{[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D157-0133
2-{[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)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

D157-0133

Molecular Formula

C24H20FN3O2S (C24 H20 FN3 O2 S)

Compound Name

2-{[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

IUPAC name

2-{[4-(4-fluorophenyl)-8-methylquinazolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

SMILES

Cc(cccc1c(-c(cc2)ccc2F)n2)c1nc2SCC(Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C24H20FN3O2S/c1-15-4-3-5-20-22(15)27-24(28-23(20)16-6-8-17(25)9-7-16)31-14-21(29)26-18-10-12-19(30-2)13-11-18/h3-13H,14H2,1-2H3,(H,26,29)

InChI Key

IXBYNLVGGNMFOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.679

Distribution Coefficient, logD

5.679

Water Solubility, LogSw

-5.69

Polar Surface Area

48.938

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D157-0133 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D157-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D157-0133?
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What is the minimum amount of D157-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D157-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D157-0133
  • 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 D157-0133 available by request