5696-0010 Screening compound: 2-[(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5,6-dimethyl-1H-1,3-benzodiazole

5696-0010 Screening compound: 2-[(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5,6-dimethyl-1H-1,3-benzodiazole
5696-0010 Screening compound: 2-[(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5,6-dimethyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5696-0010
2-[(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5,6-dimethyl-1H-1,3-benzodiazole

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

5696-0010

Molecular Formula

C20H19N5O2S (C20 H19 N5 O2 S)

Compound Name

2-[(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5,6-dimethyl-1H-1,3-benzodiazole

IUPAC name

2-[(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-56-dimethyl-1H-13-benzodiazole

SMILES

Cc(n1Cc2ccccc2)nc([N+]([O-])=O)c1Sc1nc(cc(C)c(C)c2)c2[nH]1

InChI

InChI=1S/C20H19N5O2S/c1-12-9-16-17(10-13(12)2)23-20(22-16)28-19-18(25(26)27)21-14(3)24(19)11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,22,23)

InChI Key

IGVASXQFZVWRKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01971650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.922

Distribution Coefficient, logD

4.914

Water Solubility, LogSw

-4.74

Polar Surface Area

62.761

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5696-0010 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5696-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5696-0010?
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What is the minimum amount of 5696-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5696-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5696-0010
  • 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 5696-0010 available by request