0647-0080 Screening compound: [5-(1H-1,3-benzimidazol-2-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl](2-methylphenyl)methanone

0647-0080 Screening compound: [5-(1H-1,3-benzimidazol-2-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl](2-methylphenyl)methanone
0647-0080 Screening compound: [5-(1H-1,3-benzimidazol-2-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl](2-methylphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 0647-0080
[5-(1H-1,3-benzimidazol-2-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl](2-methylphenyl)methanone

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

0647-0080

Molecular Formula

C24H19BrN4O (C24 H19 BrN4 O)

Compound Name

[5-(1H-1,3-benzimidazol-2-yl)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl](2-methylphenyl)methanone

IUPAC name

2-[3-(4-bromophenyl)-1-(2-methylbenzoyl)-45-dihydro-1H-pyrazol-5-yl]-1H-13-benzodiazole

SMILES

Cc(cccc1)c1C(N(C(C1)c2nc(cccc3)c3[nH]2)N=C1c(cc1)ccc1Br)=O

InChI

InChI=1S/C24H19BrN4O/c1-15-6-2-3-7-18(15)24(30)29-22(23-26-19-8-4-5-9-20(19)27-23)14-21(28-29)16-10-12-17(25)13-11-16/h2-13,22H,14H2,1H3,(H,26,27)/t22-/m1/s1

InChI Key

QVLXDXQRNZGENX-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD00343118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.706

Distribution Coefficient, logD

5.706

Water Solubility, LogSw

-5.50

Polar Surface Area

46.406

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

0647-0080 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0647-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0647-0080?
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What is the minimum amount of 0647-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0647-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0647-0080
  • 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 0647-0080 available by request