D244-0156 Screening compound: 5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide

D244-0156 Screening compound: 5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
D244-0156 Screening compound: 5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D244-0156
5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide

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

D244-0156

Molecular Formula

C22H19ClN4OS2 (C22 H19 ClN4 OS2)

Compound Name

5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide

IUPAC name

5-chloro-N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide

SMILES

Cc1cccc(CSc(nc2)nc(C(Nc(sc3c4CCCC3)c4C#N)=O)c2Cl)c1

InChI

InChI=1S/C22H19ClN4OS2/c1-13-5-4-6-14(9-13)12-29-22-25-11-17(23)19(26-22)20(28)27-21-16(10-24)15-7-2-3-8-18(15)30-21/h4-6,9,11H,2-3,7-8,12H2,1H3,(H,27,28)

InChI Key

CZCCPRSIIZHVAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07454784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.125

Distribution Coefficient, logD

2.308

Water Solubility, LogSw

-6.20

Polar Surface Area

58.415

Acid Dissociation Constant (pKa)

3.58

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D244-0156 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D244-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D244-0156?
Check Price and Availability of D244-0156, 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 D244-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D244-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D244-0156
  • 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 D244-0156 available by request