V010-4086 Screening compound: 2-(1-cyclohexanecarbonylpyrrolidin-2-yl)-5-(3,4-difluorophenyl)-1,3-benzoxazole

V010-4086 Screening compound: 2-(1-cyclohexanecarbonylpyrrolidin-2-yl)-5-(3,4-difluorophenyl)-1,3-benzoxazole
V010-4086 Screening compound: 2-(1-cyclohexanecarbonylpyrrolidin-2-yl)-5-(3,4-difluorophenyl)-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-4086
2-(1-cyclohexanecarbonylpyrrolidin-2-yl)-5-(3,4-difluorophenyl)-1,3-benzoxazole

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

V010-4086

Molecular Formula

C24H24F2N2O2 (C24 H24 F2 N2 O2)

Compound Name

2-(1-cyclohexanecarbonylpyrrolidin-2-yl)-5-(3,4-difluorophenyl)-1,3-benzoxazole

IUPAC name

2-(1-cyclohexanecarbonylpyrrolidin-2-yl)-5-(34-difluorophenyl)-13-benzoxazole

SMILES

O=C(C1CCCCC1)N(CCC1)C1c1nc(cc(cc2)-c(cc3)cc(F)c3F)c2o1

InChI

InChI=1S/C24H24F2N2O2/c25-18-10-8-16(13-19(18)26)17-9-11-22-20(14-17)27-23(30-22)21-7-4-12-28(21)24(29)15-5-2-1-3-6-15/h8-11,13-15,21H,1-7,12H2/t21-/m0/s1

InChI Key

COFLVGVSFZAVDG-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19969477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.965

Distribution Coefficient, logD

5.965

Water Solubility, LogSw

-5.92

Polar Surface Area

33.678

Acid Dissociation Constant (pKa)

23.34

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

V010-4086 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V010-4086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-4086?
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What is the minimum amount of V010-4086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-4086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-4086
  • 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 V010-4086 available by request