V013-5154 Screening compound: N-{4-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}dodecanamide

V013-5154 Screening compound: N-{4-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}dodecanamide
V013-5154 Screening compound: N-{4-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}dodecanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5154
N-{4-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl}dodecanamide

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

V013-5154

Molecular Formula

C29H40N2O3S (C29 H40 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCCCCCCC(Nc1ccc(C(N2c(cc3)ccc3OCC)SCC2=O)cc1)=O

InChI

InChI=1S/C29H40N2O3S/c1-3-5-6-7-8-9-10-11-12-13-27(32)30-24-16-14-23(15-17-24)29-31(28(33)22-35-29)25-18-20-26(21-19-25)34-4-2/h14-21,29H,3-13,22H2,1-2H3,(H,30,32)/t29-/m0/s1

InChI Key

QFHQPZCWIMKLNC-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19856566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.675

Distribution Coefficient, logD

7.675

Water Solubility, LogSw

-5.66

Polar Surface Area

46.406

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.70

V013-5154 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V013-5154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5154?
Check Price and Availability of V013-5154, 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 V013-5154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5154
  • 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 V013-5154 available by request