V010-4098 Screening compound: cyclopentyl{2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-1-pyrrolidinyl}methanone

V010-4098 Screening compound: cyclopentyl{2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-1-pyrrolidinyl}methanone
V010-4098 Screening compound: cyclopentyl{2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-1-pyrrolidinyl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-4098
cyclopentyl{2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-1-pyrrolidinyl}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

V010-4098

Molecular Formula

C23H22F2N2O2 (C23 H22 F2 N2 O2)

Compound Name

cyclopentyl{2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]-1-pyrrolidinyl}methanone

IUPAC name

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

SMILES

O=C(C1CCCC1)N(CCC1)C1c1nc(cc(cc2)-c(cc3)cc(F)c3F)c2o1

InChI

InChI=1S/C23H22F2N2O2/c24-17-9-7-15(12-18(17)25)16-8-10-21-19(13-16)26-22(29-21)20-6-3-11-27(20)23(28)14-4-1-2-5-14/h7-10,12-14,20H,1-6,11H2/t20-/m0/s1

InChI Key

NUPIIBTXUIRQMH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19969487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.44

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

5.564

Distribution Coefficient, logD

5.564

Water Solubility, LogSw

-5.82

Polar Surface Area

34.043

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

V010-4098 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Nervous system
Targets:
  • GPCR
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V010-4098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-4098?
Check Price and Availability of V010-4098, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V010-4098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-4098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-4098
  • 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 V010-4098 available by request