V010-9061 Screening compound: 5-(4-fluoro-3-methylphenyl)-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-benzoxazole

V010-9061 Screening compound: 5-(4-fluoro-3-methylphenyl)-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-benzoxazole
V010-9061 Screening compound: 5-(4-fluoro-3-methylphenyl)-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9061
5-(4-fluoro-3-methylphenyl)-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-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

V010-9061

Molecular Formula

C23H19FN2O2S (C23 H19 FN2 O2 S)

Compound Name

5-(4-fluoro-3-methylphenyl)-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-benzoxazole

IUPAC name

5-(4-fluoro-3-methylphenyl)-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-13-benzoxazole

SMILES

Cc(cc(cc1)-c(cc2)cc3c2oc(C(CCC2)N2C(c2cccs2)=O)n3)c1F

InChI

InChI=1S/C23H19FN2O2S/c1-14-12-15(6-8-17(14)24)16-7-9-20-18(13-16)25-22(28-20)19-4-2-10-26(19)23(27)21-5-3-11-29-21/h3,5-9,11-13,19H,2,4,10H2,1H3/t19-/m0/s1

InChI Key

XXGLHQLQFWXLIG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19969502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

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

5.565

Distribution Coefficient, logD

5.565

Water Solubility, LogSw

-5.39

Polar Surface Area

34.504

Acid Dissociation Constant (pKa)

27.05

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

V010-9061 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V010-9061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9061?
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What is the minimum amount of V010-9061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9061
  • 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 V010-9061 available by request