C066-1079 Screening compound: methyl 2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetate

C066-1079 Screening compound: methyl 2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetate
C066-1079 Screening compound: methyl 2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1079
methyl 2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetate

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

C066-1079

Molecular Formula

C21H24N4O6S2 (C21 H24 N4 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(sc(N=CN1CC(OC)=O)c2C1=O)c2S(N(CC1)CCN1c(cccc1)c1OC)(=O)=O

InChI

InChI=1S/C21H24N4O6S2/c1-14-19(18-20(32-14)22-13-24(21(18)27)12-17(26)31-3)33(28,29)25-10-8-23(9-11-25)15-6-4-5-7-16(15)30-2/h4-7,13H,8-12H2,1-3H3

InChI Key

MFTQAPMYZPHBAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.426

Distribution Coefficient, logD

1.426

Water Solubility, LogSw

-2.28

Polar Surface Area

89.392

Acid Dissociation Constant (pKa)

25.21

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C066-1079 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C066-1079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1079?
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What is the minimum amount of C066-1079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1079
  • 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 C066-1079 available by request