V010-5652 Screening compound: N-{4-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-3-methylbutanamide

V010-5652 Screening compound: N-{4-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-3-methylbutanamide
V010-5652 Screening compound: N-{4-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-5652
N-{4-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-3-methylbutanamide

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

V010-5652

Molecular Formula

C22H26N2O3S (C22 H26 N2 O3 S)

Compound Name

N-{4-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}-3-methylbutanamide

IUPAC name

N-{4-[3-(4-ethoxyphenyl)-4-oxo-13-thiazolidin-2-yl]phenyl}-3-methylbutanamide

SMILES

CCOc(cc1)ccc1N(C(c(cc1)ccc1NC(CC(C)C)=O)SC1)C1=O

InChI

InChI=1S/C22H26N2O3S/c1-4-27-19-11-9-18(10-12-19)24-21(26)14-28-22(24)16-5-7-17(8-6-16)23-20(25)13-15(2)3/h5-12,15,22H,4,13-14H2,1-3H3,(H,23,25)/t22-/m0/s1

InChI Key

FXWPCZPAIHBFIZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19856567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.255

Distribution Coefficient, logD

4.255

Water Solubility, LogSw

-4.03

Polar Surface Area

46.406

Acid Dissociation Constant (pKa)

12.21

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

V010-5652 in Drug Discovery

Included in Screening Libraries

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V010-5652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-5652?
Check Price and Availability of V010-5652, 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 V010-5652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-5652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-5652
  • 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 V010-5652 available by request