C066-2383 Screening compound: 2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-3-yl)acetamide

C066-2383 Screening compound: 2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-3-yl)acetamide
C066-2383 Screening compound: 2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2383
2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-3-yl)acetamide

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

C066-2383

Molecular Formula

C22H22N8O4S2 (C22 H22 N8 O4 S2)

Compound Name

2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)-N-(pyridin-3-yl)acetamide

IUPAC name

2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H4H-thieno[23-d]pyrimidin-3-yl)-N-(pyridin-3-yl)acetamide

SMILES

Cc(sc(N=CN1CC(Nc2cnccc2)=O)c2C1=O)c2S(N(CC1)CCN1c1ncccn1)(=O)=O

InChI

InChI=1S/C22H22N8O4S2/c1-15-19(36(33,34)30-10-8-28(9-11-30)22-24-6-3-7-25-22)18-20(35-15)26-14-29(21(18)32)13-17(31)27-16-4-2-5-23-12-16/h2-7,12,14H,8-11,13H2,1H3,(H,27,31)

InChI Key

WEKHBZOLVHTPTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.6

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.008

Distribution Coefficient, logD

1.007

Water Solubility, LogSw

-2.00

Polar Surface Area

112.242

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C066-2383 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C066-2383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2383?
Check Price and Availability of C066-2383, 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 C066-2383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2383
  • 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 C066-2383 available by request