8012-8297 Screening compound: 6-cyano-7,7-dimethyl-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-8-yl cyanide

8012-8297 Screening compound: 6-cyano-7,7-dimethyl-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-8-yl cyanide
8012-8297 Screening compound: 6-cyano-7,7-dimethyl-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-8-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8297
6-cyano-7,7-dimethyl-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-8-yl cyanide

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

8012-8297

Molecular Formula

C11H11N3OS (C11 H11 N3 OS)

Compound Name

6-cyano-7,7-dimethyl-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-8-yl cyanide

IUPAC name

77-dimethyl-5-oxo-2H3H5H6H7H-[13]thiazolo[32-a]pyridine-68-dicarbonitrile

SMILES

CC(C)(C1C#N)C(C#N)=C2SCCN2C1=O

InChI

InChI=1S/C11H11N3OS/c1-11(2)7(5-12)9(15)14-3-4-16-10(14)8(11)6-13/h7H,3-4H2,1-2H3/t7-/m0/s1

InChI Key

MELRPBAXTKGVPH-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD03058583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.164

Distribution Coefficient, logD

1.164

Water Solubility, LogSw

-1.48

Polar Surface Area

51.202

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

8012-8297 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-8297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8297?
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What is the minimum amount of 8012-8297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8297
  • 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 8012-8297 available by request