V012-6864 Screening compound: 1-[2-(4-chlorophenoxy)acetyl]-N-(2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl)pyrrolidine-2-carboxamide

V012-6864 Screening compound: 1-[2-(4-chlorophenoxy)acetyl]-N-(2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl)pyrrolidine-2-carboxamide
V012-6864 Screening compound: 1-[2-(4-chlorophenoxy)acetyl]-N-(2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-6864
1-[2-(4-chlorophenoxy)acetyl]-N-(2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl)pyrrolidine-2-carboxamide

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

V012-6864

Molecular Formula

C35H40ClN3O5 (C35 H40 ClN3 O5)

Compound Name

1-[2-(4-chlorophenoxy)acetyl]-N-(2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl)pyrrolidine-2-carboxamide

IUPAC name

(2S)-1-[2-(4-chlorophenoxy)acetyl]-N-[(1R2R)-2-{N-[(3-methylphenyl)methyl]4-methoxybenzamido}cyclohexyl]pyrrolidine-2-carboxamide

SMILES

Cc1cccc(CN([C@@H](CCCC2)[C@H]2NC([C@@H](CCC2)N2C(COc(cc2)ccc2Cl)=O)=O)C(c(cc2)ccc2OC)=O)c1

InChI

InChI=1S/C35H40ClN3O5/c1-24-7-5-8-25(21-24)22-39(35(42)26-12-16-28(43-2)17-13-26)31-10-4-3-9-30(31)37-34(41)32-11-6-20-38(32)33(40)23-44-29-18-14-27(36)15-19-29/h5,7-8,12-19,21,30-32H,3-4,6,9-11,20,22-23H2,1-2H3,(H,37,41)/t30-,31-,32+/m0/s1

InChI Key

VNJCITQSVPDSBX-OWHBQTKESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

618.17

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.422

Distribution Coefficient, logD

5.422

Water Solubility, LogSw

-6.00

Polar Surface Area

70.448

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.00

V012-6864 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V012-6864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-6864?
Check Price and Availability of V012-6864, 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 V012-6864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-6864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-6864
  • 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 V012-6864 available by request