V010-7080 Screening compound: N-[1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-yl]cyclohexanecarboxamide

V010-7080 Screening compound: N-[1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-yl]cyclohexanecarboxamide
V010-7080 Screening compound: N-[1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-yl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-7080
N-[1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-yl]cyclohexanecarboxamide

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

V010-7080

Molecular Formula

C20H26BrN3O (C20 H26 BrN3 O)

Compound Name

N-[1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-yl]cyclohexanecarboxamide

IUPAC name

N-[1-(4-bromophenyl)-3-tert-butyl-1H-pyrazol-5-yl]cyclohexanecarboxamide

SMILES

CC(C)(C)c(cc1NC(C2CCCCC2)=O)nn1-c(cc1)ccc1Br

InChI

InChI=1S/C20H26BrN3O/c1-20(2,3)17-13-18(22-19(25)14-7-5-4-6-8-14)24(23-17)16-11-9-15(21)10-12-16/h9-14H,4-8H2,1-3H3,(H,22,25)

InChI Key

PDHFZOFLTUXFBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19949805

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

404.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.844

Distribution Coefficient, logD

5.843

Water Solubility, LogSw

-5.34

Polar Surface Area

37.957

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V010-7080 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V010-7080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-7080?
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What is the minimum amount of V010-7080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-7080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-7080
  • 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 V010-7080 available by request