V009-9354 Screening compound: 1-[({2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}sulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one

V009-9354 Screening compound: 1-[({2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}sulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
V009-9354 Screening compound: 1-[({2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}sulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-9354
1-[({2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}sulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-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

V009-9354

Molecular Formula

C27H28F2N2O4S (C27 H28 F2 N2 O4 S)

Compound Name

1-[({2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}sulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one

IUPAC name

(1R)-1-[({2-[5-(24-difluorophenyl)-13-benzoxazol-2-yl]pyrrolidin-1-yl}sulfonyl)methyl]-77-dimethylbicyclo[2.2.1]heptan-2-one

SMILES

CC(C)(C(CC1)C2)C1(CS(N(CCC1)C1c1nc(cc(cc3)-c(ccc(F)c4)c4F)c3o1)(=O)=O)C2=O

InChI

InChI=1S/C27H28F2N2O4S/c1-26(2)17-9-10-27(26,24(32)13-17)15-36(33,34)31-11-3-4-22(31)25-30-21-12-16(5-8-23(21)35-25)19-7-6-18(28)14-20(19)29/h5-8,12,14,17,22H,3-4,9-11,13,15H2,1-2H3/t17?,22?,27-/m0/s1

InChI Key

CPKFMLJSOYTAAI-ZIBSPAOGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.678

Distribution Coefficient, logD

5.678

Water Solubility, LogSw

-5.38

Polar Surface Area

63.312

Acid Dissociation Constant (pKa)

18.43

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

48.10

V009-9354 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V009-9354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-9354?
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What is the minimum amount of V009-9354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-9354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-9354
  • 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 V009-9354 available by request