C201-1370 Screening compound: 3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

C201-1370 Screening compound: 3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
C201-1370 Screening compound: 3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1370
3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

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

C201-1370

Molecular Formula

C11H12N2OS (C11 H12 N2 OS)

Compound Name

3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

8-thia-46-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)5-trien-3-one

SMILES

O=C1NC=Nc2c1c(CCCCC1)c1s2

InChI

InChI=1S/C11H12N2OS/c14-10-9-7-4-2-1-3-5-8(7)15-11(9)13-6-12-10/h6H,1-5H2,(H,12,13,14)

InChI Key

SMKVVKXYWCYSDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00703894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.990

Distribution Coefficient, logD

1.989

Water Solubility, LogSw

-2.44

Polar Surface Area

36.089

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

C201-1370 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C201-1370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1370?
Check Price and Availability of C201-1370, 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 C201-1370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1370
  • 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 C201-1370 available by request