3738-4511 Screening compound: N-[4-(2-chloro-5-nitrobenzamido)phenyl]thiophene-2-carboxamide

3738-4511 Screening compound: N-[4-(2-chloro-5-nitrobenzamido)phenyl]thiophene-2-carboxamide
3738-4511 Screening compound: N-[4-(2-chloro-5-nitrobenzamido)phenyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3738-4511
N-[4-(2-chloro-5-nitrobenzamido)phenyl]thiophene-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

3738-4511

Molecular Formula

C18H12ClN3O4S (C18 H12 ClN3 O4 S)

Compound Name

N-[4-(2-chloro-5-nitrobenzamido)phenyl]thiophene-2-carboxamide

IUPAC name

N-[4-(2-chloro-5-nitrobenzamido)phenyl]thiophene-2-carboxamide

SMILES

[O-][N+](c(cc1)cc(C(Nc(cc2)ccc2NC(c2cccs2)=O)=O)c1Cl)=O

InChI

InChI=1S/C18H12ClN3O4S/c19-15-8-7-13(22(25)26)10-14(15)17(23)20-11-3-5-12(6-4-11)21-18(24)16-2-1-9-27-16/h1-10H,(H,20,23)(H,21,24)

InChI Key

CGTGREKNLVGMAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02802555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.237

Distribution Coefficient, logD

4.226

Water Solubility, LogSw

-4.72

Polar Surface Area

80.821

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3738-4511 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3738-4511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3738-4511?
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What is the minimum amount of 3738-4511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3738-4511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3738-4511
  • 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 3738-4511 available by request