C301-9808 Screening compound: 2-[(4-{[(4-methoxyphenyl)carbamoyl]amino}phenyl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C301-9808 Screening compound: 2-[(4-{[(4-methoxyphenyl)carbamoyl]amino}phenyl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
C301-9808 Screening compound: 2-[(4-{[(4-methoxyphenyl)carbamoyl]amino}phenyl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9808
2-[(4-{[(4-methoxyphenyl)carbamoyl]amino}phenyl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)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

C301-9808

Molecular Formula

C25H22N4O3S2 (C25 H22 N4 O3 S2)

Compound Name

2-[(4-{[(4-methoxyphenyl)carbamoyl]amino}phenyl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

IUPAC name

2-[(4-{[(4-methoxyphenyl)carbamoyl]amino}phenyl)sulfanyl]-N-(4-phenyl-13-thiazol-2-yl)acetamide

SMILES

COc(cc1)ccc1NC(Nc(cc1)ccc1SCC(Nc1nc(-c2ccccc2)cs1)=O)=O

InChI

InChI=1S/C25H22N4O3S2/c1-32-20-11-7-18(8-12-20)26-24(31)27-19-9-13-21(14-10-19)33-16-23(30)29-25-28-22(15-34-25)17-5-3-2-4-6-17/h2-15H,16H2,1H3,(H2,26,27,31)(H,28,29,30)

InChI Key

CCGBTQSXZVGWNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.384

Distribution Coefficient, logD

6.384

Water Solubility, LogSw

-5.68

Polar Surface Area

72.738

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

C301-9808 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-9808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9808?
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What is the minimum amount of C301-9808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9808
  • 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 C301-9808 available by request