C066-2400 Screening compound: 3-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one

C066-2400 Screening compound: 3-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one
C066-2400 Screening compound: 3-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2400
3-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-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

C066-2400

Molecular Formula

C27H29ClN8O4S2 (C27 H29 ClN8 O4 S2)

Compound Name

3-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

3-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H4H-thieno[23-d]pyrimidin-4-one

SMILES

Cc(sc(N=CN1CC(N(CC2)CCN2c(cc2)ccc2Cl)=O)c2C1=O)c2S(N(CC1)CCN1c1ncccn1)(=O)=O

InChI

InChI=1S/C27H29ClN8O4S2/c1-19-24(42(39,40)36-15-13-34(14-16-36)27-29-7-2-8-30-27)23-25(41-19)31-18-35(26(23)38)17-22(37)33-11-9-32(10-12-33)21-5-3-20(28)4-6-21/h2-8,18H,9-17H2,1H3

InChI Key

JTIZYKXCAXFKHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

629.16

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.386

Distribution Coefficient, logD

2.386

Water Solubility, LogSw

-3.15

Polar Surface Area

99.228

Acid Dissociation Constant (pKa)

20.87

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C066-2400 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C066-2400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2400?
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What is the minimum amount of C066-2400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2400
  • 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 C066-2400 available by request