D360-5948 Screening compound: methyl 2-({3-cyano-5H,6H,7H-cyclopenta[b]pyridin-2-yl}sulfanyl)acetate

D360-5948 Screening compound: methyl 2-({3-cyano-5H,6H,7H-cyclopenta[b]pyridin-2-yl}sulfanyl)acetate
D360-5948 Screening compound: methyl 2-({3-cyano-5H,6H,7H-cyclopenta[b]pyridin-2-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D360-5948
methyl 2-({3-cyano-5H,6H,7H-cyclopenta[b]pyridin-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

D360-5948

Molecular Formula

C12H12N2O2S (C12 H12 N2 O2 S)

Compound Name

methyl 2-({3-cyano-5H,6H,7H-cyclopenta[b]pyridin-2-yl}sulfanyl)acetate

IUPAC name

methyl 2-({3-cyano-5H6H7H-cyclopenta[b]pyridin-2-yl}sulfanyl)acetate

SMILES

COC(CSc1nc(CCC2)c2cc1C#N)=O

InChI

InChI=1S/C12H12N2O2S/c1-16-11(15)7-17-12-9(6-13)5-8-3-2-4-10(8)14-12/h5H,2-4,7H2,1H3

InChI Key

HKUIJBBQSGBLQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00487195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.159

Distribution Coefficient, logD

2.159

Water Solubility, LogSw

-2.40

Polar Surface Area

48.408

Acid Dissociation Constant (pKa)

17.91

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with D360-5948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D360-5948?
Check Price and Availability of D360-5948, 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 D360-5948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D360-5948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D360-5948
  • 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 D360-5948 available by request