C096-0033 Screening compound: 2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

C096-0033 Screening compound: 2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
C096-0033 Screening compound: 2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C096-0033
2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)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

C096-0033

Molecular Formula

C29H33N5O8S2 (C29 H33 N5 O8 S2)

Compound Name

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

IUPAC name

2-(5-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-6-methyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl)-N-(345-trimethoxyphenyl)acetamide

SMILES

Cc(sc(N=CN1CC(Nc(cc2OC)cc(OC)c2OC)=O)c2C1=O)c2S(N(CC1)CCN1c(cccc1)c1OC)(=O)=O

InChI

InChI=1S/C29H33N5O8S2/c1-18-27(44(37,38)34-12-10-32(11-13-34)20-8-6-7-9-21(20)39-2)25-28(43-18)30-17-33(29(25)36)16-24(35)31-19-14-22(40-3)26(42-5)23(15-19)41-4/h6-9,14-15,17H,10-13,16H2,1-5H3,(H,31,35)

InChI Key

SMKBLYSGRUTTSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

643.74

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.301

Distribution Coefficient, logD

2.301

Water Solubility, LogSw

-3.05

Polar Surface Area

114.669

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with C096-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C096-0033?
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What is the minimum amount of C096-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C096-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C096-0033
  • 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 C096-0033 available by request