7397-0105 Screening compound: N-(3-{2-[(4-chlorophenyl)sulfanyl]acetamido}-4-methoxyphenyl)furan-2-carboxamide

7397-0105 Screening compound: N-(3-{2-[(4-chlorophenyl)sulfanyl]acetamido}-4-methoxyphenyl)furan-2-carboxamide
7397-0105 Screening compound: N-(3-{2-[(4-chlorophenyl)sulfanyl]acetamido}-4-methoxyphenyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7397-0105
N-(3-{2-[(4-chlorophenyl)sulfanyl]acetamido}-4-methoxyphenyl)furan-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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

7397-0105

Molecular Formula

C20H17ClN2O4S (C20 H17 ClN2 O4 S)

Compound Name

N-(3-{2-[(4-chlorophenyl)sulfanyl]acetamido}-4-methoxyphenyl)furan-2-carboxamide

IUPAC name

N-(3-{2-[(4-chlorophenyl)sulfanyl]acetamido}-4-methoxyphenyl)furan-2-carboxamide

SMILES

COc(ccc(NC(c1ccco1)=O)c1)c1NC(CSc(cc1)ccc1Cl)=O

InChI

InChI=1S/C20H17ClN2O4S/c1-26-17-9-6-14(22-20(25)18-3-2-10-27-18)11-16(17)23-19(24)12-28-15-7-4-13(21)5-8-15/h2-11H,12H2,1H3,(H,22,25)(H,23,24)

InChI Key

VIXODTJWCALXOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04382957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.961

Distribution Coefficient, logD

3.961

Water Solubility, LogSw

-4.32

Polar Surface Area

61.718

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

7397-0105 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 7397-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7397-0105?
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What is the minimum amount of 7397-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7397-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7397-0105
  • 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 7397-0105 available by request