C096-0171 Screening compound: 2-[6-methyl-4-oxo-5-(piperidine-1-sulfonyl)-3H,4H-thieno[2,3-d]pyrimidin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

C096-0171 Screening compound: 2-[6-methyl-4-oxo-5-(piperidine-1-sulfonyl)-3H,4H-thieno[2,3-d]pyrimidin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
C096-0171 Screening compound: 2-[6-methyl-4-oxo-5-(piperidine-1-sulfonyl)-3H,4H-thieno[2,3-d]pyrimidin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C096-0171
2-[6-methyl-4-oxo-5-(piperidine-1-sulfonyl)-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

C096-0171

Molecular Formula

C23H28N4O7S2 (C23 H28 N4 O7 S2)

Compound Name

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

IUPAC name

2-[6-methyl-4-oxo-5-(piperidine-1-sulfonyl)-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(N1CCCCC1)(=O)=O

InChI

InChI=1S/C23H28N4O7S2/c1-14-21(36(30,31)27-8-6-5-7-9-27)19-22(35-14)24-13-26(23(19)29)12-18(28)25-15-10-16(32-2)20(34-4)17(11-15)33-3/h10-11,13H,5-9,12H2,1-4H3,(H,25,28)

InChI Key

RTCMVKWMBFWCOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.63

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.579

Distribution Coefficient, logD

1.579

Water Solubility, LogSw

-2.41

Polar Surface Area

104.079

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with C096-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C096-0171?
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What is the minimum amount of C096-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C096-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C096-0171
  • 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 C096-0171 available by request