8010-6074 Screening compound: (2Z)-2-(1H-1,3-benzodiazol-2-yl)-3-[4-(4-chlorobenzenesulfonyl)phenyl]prop-2-enenitrile

8010-6074 Screening compound: (2Z)-2-(1H-1,3-benzodiazol-2-yl)-3-[4-(4-chlorobenzenesulfonyl)phenyl]prop-2-enenitrile
8010-6074 Screening compound: (2Z)-2-(1H-1,3-benzodiazol-2-yl)-3-[4-(4-chlorobenzenesulfonyl)phenyl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-6074
(2Z)-2-(1H-1,3-benzodiazol-2-yl)-3-[4-(4-chlorobenzenesulfonyl)phenyl]prop-2-enenitrile

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

8010-6074

Molecular Formula

C22H14ClN3O2S (C22 H14 ClN3 O2 S)

Compound Name

(2Z)-2-(1H-1,3-benzodiazol-2-yl)-3-[4-(4-chlorobenzenesulfonyl)phenyl]prop-2-enenitrile

IUPAC name

(2Z)-2-(1H-13-benzodiazol-2-yl)-3-[4-(4-chlorobenzenesulfonyl)phenyl]prop-2-enenitrile

SMILES

N#C/C(/c1nc(cccc2)c2[nH]1)=C/c(cc1)ccc1S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C22H14ClN3O2S/c23-17-7-11-19(12-8-17)29(27,28)18-9-5-15(6-10-18)13-16(14-24)22-25-20-3-1-2-4-21(20)26-22/h1-13H,(H,25,26)

InChI Key

YMVQUSJCSQGUHD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.244

Distribution Coefficient, logD

5.243

Water Solubility, LogSw

-6.10

Polar Surface Area

65.815

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8010-6074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-6074?
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What is the minimum amount of 8010-6074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-6074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-6074
  • 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 8010-6074 available by request