0880-0127 Screening compound: 1-(4-bromoanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

0880-0127 Screening compound: 1-(4-bromoanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
0880-0127 Screening compound: 1-(4-bromoanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0880-0127
1-(4-bromoanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl 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

0880-0127

Molecular Formula

C19H13BrN4 (C19 H13 BrN4)

Compound Name

1-(4-bromoanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-[(4-bromophenyl)amino]-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-24681012-hexaene-10-carbonitrile

SMILES

Cc(cc(Nc(cc1)ccc1Br)n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C19H13BrN4/c1-12-10-18(22-14-8-6-13(20)7-9-14)24-17-5-3-2-4-16(17)23-19(24)15(12)11-21/h2-10,22H,1H3

InChI Key

HKWSHGTTXLMGTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00649406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.24

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.664

Distribution Coefficient, logD

5.664

Water Solubility, LogSw

-5.72

Polar Surface Area

34.614

Acid Dissociation Constant (pKa)

16.30

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

0880-0127 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

DGK Inhibitors Library (10558 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0880-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0880-0127?
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What is the minimum amount of 0880-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0880-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0880-0127
  • 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 0880-0127 available by request