V007-7594 Screening compound: 2-[1-(2-chlorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]formamido]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide

V007-7594 Screening compound: 2-[1-(2-chlorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]formamido]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
V007-7594 Screening compound: 2-[1-(2-chlorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]formamido]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-7594
2-[1-(2-chlorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]formamido]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide

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

V007-7594

Molecular Formula

C28H31ClFN3O2S (C28 H31 ClFN3 O2 S)

Compound Name

2-[1-(2-chlorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]formamido]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide

IUPAC name

2-[1-(2-chlorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]formamido]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide

SMILES

Cc1c(CN(Cc(cc2)ccc2F)C(CN(CCN2CCCC2)C(c(cccc2)c2Cl)=O)=O)scc1

InChI

InChI=1S/C28H31ClFN3O2S/c1-21-12-17-36-26(21)19-33(18-22-8-10-23(30)11-9-22)27(34)20-32(16-15-31-13-4-5-14-31)28(35)24-6-2-3-7-25(24)29/h2-3,6-12,17H,4-5,13-16,18-20H2,1H3

InChI Key

KPNHOWKZTHTFLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19749433

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

528.09

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.544

Distribution Coefficient, logD

3.588

Water Solubility, LogSw

-4.61

Polar Surface Area

37.207

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

V007-7594 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V007-7594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-7594?
Check Price and Availability of V007-7594, 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 V007-7594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-7594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-7594
  • 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 V007-7594 available by request