1184-1990 Screening compound: (1E,3E)-1-(1H-1,3-benzimidazol-2-yl)-4-(2-chlorophenyl)-1,3-butadienyl cyanide

1184-1990 Screening compound: (1E,3E)-1-(1H-1,3-benzimidazol-2-yl)-4-(2-chlorophenyl)-1,3-butadienyl cyanide
1184-1990 Screening compound: (1E,3E)-1-(1H-1,3-benzimidazol-2-yl)-4-(2-chlorophenyl)-1,3-butadienyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1184-1990
(1E,3E)-1-(1H-1,3-benzimidazol-2-yl)-4-(2-chlorophenyl)-1,3-butadienyl cyanide

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

1184-1990

Molecular Formula

C18H12ClN3 (C18 H12 ClN3)

Compound Name

(1E,3E)-1-(1H-1,3-benzimidazol-2-yl)-4-(2-chlorophenyl)-1,3-butadienyl cyanide

IUPAC name

(2E4E)-2-(1H-13-benzodiazol-2-yl)-5-(2-chlorophenyl)penta-24-dienenitrile

SMILES

N#C/C(/c1nc(cccc2)c2[nH]1)=C\C=C\c(cccc1)c1Cl

InChI

InChI=1S/C18H12ClN3/c19-15-9-2-1-6-13(15)7-5-8-14(12-20)18-21-16-10-3-4-11-17(16)22-18/h1-11H,(H,21,22)

InChI Key

ODPIGENJDNZTBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00613939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.77

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.716

Distribution Coefficient, logD

4.715

Water Solubility, LogSw

-5.07

Polar Surface Area

36.314

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 1184-1990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1184-1990?
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What is the minimum amount of 1184-1990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1184-1990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1184-1990
  • 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 1184-1990 available by request