2513-0731 Screening compound: N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-nitrothiophene-2-carboxamide

2513-0731 Screening compound: N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-nitrothiophene-2-carboxamide
2513-0731 Screening compound: N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-nitrothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-0731
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-nitrothiophene-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

2513-0731

Molecular Formula

C18H10Cl2N2O4S (C18 H10 Cl2 N2 O4 S)

Compound Name

N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-nitrothiophene-2-carboxamide

IUPAC name

N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-nitrothiophene-2-carboxamide

SMILES

[O-][N+](c1ccc(C(Nc(ccc(Cl)c2)c2C(c(cccc2)c2Cl)=O)=O)s1)=O

InChI

InChI=1S/C18H10Cl2N2O4S/c19-10-5-6-14(21-18(24)15-7-8-16(27-15)22(25)26)12(9-10)17(23)11-3-1-2-4-13(11)20/h1-9H,(H,21,24)

InChI Key

FUADWPTYTXLTOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.735

Distribution Coefficient, logD

4.741

Water Solubility, LogSw

-5.86

Polar Surface Area

70.850

Acid Dissociation Constant (pKa)

6.45

Base Dissociation Constant (pKb)

-5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2513-0731 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2513-0731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-0731?
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What is the minimum amount of 2513-0731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-0731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-0731
  • 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 2513-0731 available by request