6325-0267 Screening compound: 1-(4-bromophenyl)-2-[2-(2-furyl)-4H-[1,2,4]triazolo[1,5-a][1,3]benzimidazol-4-yl]-1-ethanone

6325-0267 Screening compound: 1-(4-bromophenyl)-2-[2-(2-furyl)-4H-[1,2,4]triazolo[1,5-a][1,3]benzimidazol-4-yl]-1-ethanone
6325-0267 Screening compound: 1-(4-bromophenyl)-2-[2-(2-furyl)-4H-[1,2,4]triazolo[1,5-a][1,3]benzimidazol-4-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 6325-0267
1-(4-bromophenyl)-2-[2-(2-furyl)-4H-[1,2,4]triazolo[1,5-a][1,3]benzimidazol-4-yl]-1-ethanone

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

6325-0267

Molecular Formula

C20H13BrN4O2 (C20 H13 BrN4 O2)

Compound Name

1-(4-bromophenyl)-2-[2-(2-furyl)-4H-[1,2,4]triazolo[1,5-a][1,3]benzimidazol-4-yl]-1-ethanone

IUPAC name

1-(4-bromophenyl)-2-[4-(furan-2-yl)-2357-tetraazatricyclo[6.4.0.0^{26}]dodeca-1(12)35810-pentaen-7-yl]ethan-1-one

SMILES

O=C(Cn1c2nc(-c3ccco3)nn2c2c1cccc2)c(cc1)ccc1Br

InChI

InChI=1S/C20H13BrN4O2/c21-14-9-7-13(8-10-14)17(26)12-24-15-4-1-2-5-16(15)25-20(24)22-19(23-25)18-6-3-11-27-18/h1-11H,12H2

InChI Key

XVTFBGIQNDUFOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.162

Distribution Coefficient, logD

4.094

Water Solubility, LogSw

-4.49

Polar Surface Area

45.386

Acid Dissociation Constant (pKa)

15.65

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

6325-0267 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6325-0267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6325-0267?
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What is the minimum amount of 6325-0267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6325-0267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6325-0267
  • 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 6325-0267 available by request