V006-5805 Screening compound: methyl 2-(2-chloro-4-fluorophenyl)-2-{4-[(2,2-diphenylacetyl)amino]-2-cyclopentenyl}acetate

V006-5805 Screening compound: methyl 2-(2-chloro-4-fluorophenyl)-2-{4-[(2,2-diphenylacetyl)amino]-2-cyclopentenyl}acetate
V006-5805 Screening compound: methyl 2-(2-chloro-4-fluorophenyl)-2-{4-[(2,2-diphenylacetyl)amino]-2-cyclopentenyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-5805
methyl 2-(2-chloro-4-fluorophenyl)-2-{4-[(2,2-diphenylacetyl)amino]-2-cyclopentenyl}acetate

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

V006-5805

Molecular Formula

C28H25ClFNO3 (C28 H25 ClFNO3)

Compound Name

methyl 2-(2-chloro-4-fluorophenyl)-2-{4-[(2,2-diphenylacetyl)amino]-2-cyclopentenyl}acetate

IUPAC name

methyl 2-(2-chloro-4-fluorophenyl)-2-[4-(22-diphenylacetamido)cyclopent-2-en-1-yl]acetate

SMILES

COC(C(C(C1)C=CC1NC(C(c1ccccc1)c1ccccc1)=O)c(ccc(F)c1)c1Cl)=O

InChI

InChI=1S/C28H25ClFNO3/c1-34-28(33)26(23-15-13-21(30)17-24(23)29)20-12-14-22(16-20)31-27(32)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,17,20,22,25-26H,16H2,1H3,(H,31,32)

InChI Key

KNWKNHCJMYZDLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19965053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.291

Distribution Coefficient, logD

6.291

Water Solubility, LogSw

-6.26

Polar Surface Area

45.374

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

21.43

V006-5805 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V006-5805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-5805?
Check Price and Availability of V006-5805, 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 V006-5805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-5805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-5805
  • 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 V006-5805 available by request