D360-0531 Screening compound: propan-2-yl 2-{[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl}acetate

D360-0531 Screening compound: propan-2-yl 2-{[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl}acetate
D360-0531 Screening compound: propan-2-yl 2-{[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D360-0531
propan-2-yl 2-{[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl}acetate

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

D360-0531

Molecular Formula

C17H15ClN2O2S (C17 H15 ClN2 O2 S)

Compound Name

propan-2-yl 2-{[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl}acetate

IUPAC name

propan-2-yl 2-{[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl}acetate

SMILES

CC(C)OC(CSc(nc(cc1)-c(cc2)ccc2Cl)c1C#N)=O

InChI

InChI=1S/C17H15ClN2O2S/c1-11(2)22-16(21)10-23-17-13(9-19)5-8-15(20-17)12-3-6-14(18)7-4-12/h3-8,11H,10H2,1-2H3

InChI Key

MXSYHXXFTDARPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14824483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.793

Distribution Coefficient, logD

4.793

Water Solubility, LogSw

-4.84

Polar Surface Area

45.608

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D360-0531 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D360-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D360-0531?
Check Price and Availability of D360-0531, 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 D360-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D360-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D360-0531
  • 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 D360-0531 available by request