V012-5270 Screening compound: N-[2-({4-[2-(4-benzylpiperidino)-2-oxoethyl]-1,3-thiazol-2-yl}amino)-2-oxoethyl]-2-chloro-N-isobutylbenzamide

V012-5270 Screening compound: N-[2-({4-[2-(4-benzylpiperidino)-2-oxoethyl]-1,3-thiazol-2-yl}amino)-2-oxoethyl]-2-chloro-N-isobutylbenzamide
V012-5270 Screening compound: N-[2-({4-[2-(4-benzylpiperidino)-2-oxoethyl]-1,3-thiazol-2-yl}amino)-2-oxoethyl]-2-chloro-N-isobutylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-5270
N-[2-({4-[2-(4-benzylpiperidino)-2-oxoethyl]-1,3-thiazol-2-yl}amino)-2-oxoethyl]-2-chloro-N-isobutylbenzamide

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

V012-5270

Molecular Formula

C30H35ClN4O3S (C30 H35 ClN4 O3 S)

Compound Name

N-[2-({4-[2-(4-benzylpiperidino)-2-oxoethyl]-1,3-thiazol-2-yl}amino)-2-oxoethyl]-2-chloro-N-isobutylbenzamide

IUPAC name

N-{4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-13-thiazol-2-yl}-2-[1-(2-chlorophenyl)-N-(2-methylpropyl)formamido]acetamide

SMILES

CC(C)CN(CC(Nc1nc(CC(N2CCC(Cc3ccccc3)CC2)=O)cs1)=O)C(c(cccc1)c1Cl)=O

InChI

InChI=1S/C30H35ClN4O3S/c1-21(2)18-35(29(38)25-10-6-7-11-26(25)31)19-27(36)33-30-32-24(20-39-30)17-28(37)34-14-12-23(13-15-34)16-22-8-4-3-5-9-22/h3-11,20-21,23H,12-19H2,1-2H3,(H,32,33,36)

InChI Key

ZKUIKPLFYOANRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19765124

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

567.15

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.976

Distribution Coefficient, logD

5.974

Water Solubility, LogSw

-5.81

Polar Surface Area

65.990

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V012-5270 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V012-5270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-5270?
Check Price and Availability of V012-5270, 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 V012-5270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-5270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-5270
  • 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 V012-5270 available by request