V001-9456 Screening compound: 2-chloro-N-[(4-fluorophenyl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}benzamide

V001-9456 Screening compound: 2-chloro-N-[(4-fluorophenyl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}benzamide
V001-9456 Screening compound: 2-chloro-N-[(4-fluorophenyl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-9456
2-chloro-N-[(4-fluorophenyl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}benzamide

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

V001-9456

Molecular Formula

C27H24ClFN2O5 (C27 H24 ClFN2 O5)

Compound Name

2-chloro-N-[(4-fluorophenyl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}benzamide

IUPAC name

2-chloro-N-[(4-fluorophenyl)methyl]-N-{[5-(345-trimethoxyphenyl)-12-oxazol-3-yl]methyl}benzamide

SMILES

COc1cc(-c2cc(CN(Cc(cc3)ccc3F)C(c(cccc3)c3Cl)=O)no2)cc(OC)c1OC

InChI

InChI=1S/C27H24ClFN2O5/c1-33-24-12-18(13-25(34-2)26(24)35-3)23-14-20(30-36-23)16-31(15-17-8-10-19(29)11-9-17)27(32)21-6-4-5-7-22(21)28/h4-14H,15-16H2,1-3H3

InChI Key

GSBIEPHBVFOBPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19816988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.812

Distribution Coefficient, logD

4.812

Water Solubility, LogSw

-4.88

Polar Surface Area

61.186

Acid Dissociation Constant (pKa)

26.67

Base Dissociation Constant (pKb)

-6.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

V001-9456 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V001-9456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-9456?
Check Price and Availability of V001-9456, 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 V001-9456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-9456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-9456
  • 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 V001-9456 available by request