V010-2478 Screening compound: 1-{2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-2-(4-fluorophenyl)ethan-1-one

V010-2478 Screening compound: 1-{2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-2-(4-fluorophenyl)ethan-1-one
V010-2478 Screening compound: 1-{2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-2-(4-fluorophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-2478
1-{2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-2-(4-fluorophenyl)ethan-1-one

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

V010-2478

Molecular Formula

C25H19F3N2O2 (C25 H19 F3 N2 O2)

Compound Name

1-{2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-2-(4-fluorophenyl)ethan-1-one

IUPAC name

1-{2-[5-(24-difluorophenyl)-13-benzoxazol-2-yl]pyrrolidin-1-yl}-2-(4-fluorophenyl)ethan-1-one

SMILES

O=C(Cc(cc1)ccc1F)N(CCC1)C1c1nc(cc(cc2)-c(ccc(F)c3)c3F)c2o1

InChI

InChI=1S/C25H19F3N2O2/c26-17-6-3-15(4-7-17)12-24(31)30-11-1-2-22(30)25-29-21-13-16(5-10-23(21)32-25)19-9-8-18(27)14-20(19)28/h3-10,13-14,22H,1-2,11-12H2/t22-/m0/s1

InChI Key

HWUPSMMQRCXTLG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19969549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.513

Distribution Coefficient, logD

5.513

Water Solubility, LogSw

-5.79

Polar Surface Area

32.958

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

V010-2478 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V010-2478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-2478?
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What is the minimum amount of V010-2478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-2478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-2478
  • 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 V010-2478 available by request