8011-1199 Screening compound: 2-chloro-N~1~-[2-(5-chloro-2-nitroanilino)ethyl]benzamide

8011-1199 Screening compound: 2-chloro-N~1~-[2-(5-chloro-2-nitroanilino)ethyl]benzamide
8011-1199 Screening compound: 2-chloro-N~1~-[2-(5-chloro-2-nitroanilino)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1199
2-chloro-N~1~-[2-(5-chloro-2-nitroanilino)ethyl]benzamide

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

8011-1199

Molecular Formula

C15H13Cl2N3O3 (C15 H13 Cl2 N3 O3)

Compound Name

2-chloro-N~1~-[2-(5-chloro-2-nitroanilino)ethyl]benzamide

IUPAC name

2-chloro-N-{2-[(5-chloro-2-nitrophenyl)amino]ethyl}benzamide

SMILES

[O-][N+](c(ccc(Cl)c1)c1NCCNC(c(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C15H13Cl2N3O3/c16-10-5-6-14(20(22)23)13(9-10)18-7-8-19-15(21)11-3-1-2-4-12(11)17/h1-6,9,18H,7-8H2,(H,19,21)

InChI Key

DNGKTELGAJDBTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00493153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.19

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.816

Distribution Coefficient, logD

3.816

Water Solubility, LogSw

-4.27

Polar Surface Area

67.224

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8011-1199 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-1199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1199?
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What is the minimum amount of 8011-1199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1199
  • 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 8011-1199 available by request