8014-3098 Screening compound: 2-[(2-chloro-5-nitrobenzyl)sulfanyl]-5,6-dimethyl-1H-1,3-benzimidazole

8014-3098 Screening compound: 2-[(2-chloro-5-nitrobenzyl)sulfanyl]-5,6-dimethyl-1H-1,3-benzimidazole
8014-3098 Screening compound: 2-[(2-chloro-5-nitrobenzyl)sulfanyl]-5,6-dimethyl-1H-1,3-benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-3098
2-[(2-chloro-5-nitrobenzyl)sulfanyl]-5,6-dimethyl-1H-1,3-benzimidazole

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

8014-3098

Molecular Formula

C16H14ClN3O2S (C16 H14 ClN3 O2 S)

Compound Name

2-[(2-chloro-5-nitrobenzyl)sulfanyl]-5,6-dimethyl-1H-1,3-benzimidazole

IUPAC name

2-{[(2-chloro-5-nitrophenyl)methyl]sulfanyl}-56-dimethyl-1H-13-benzodiazole

SMILES

Cc(c(C)c1)cc([nH]2)c1nc2SCc(cc(cc1)[N+]([O-])=O)c1Cl

InChI

InChI=1S/C16H14ClN3O2S/c1-9-5-14-15(6-10(9)2)19-16(18-14)23-8-11-7-12(20(21)22)3-4-13(11)17/h3-7H,8H2,1-2H3,(H,18,19)

InChI Key

TUELDSNEKPJXJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03368462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.193

Distribution Coefficient, logD

5.178

Water Solubility, LogSw

-5.69

Polar Surface Area

51.361

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

8014-3098 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 8014-3098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-3098?
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What is the minimum amount of 8014-3098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-3098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-3098
  • 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 8014-3098 available by request