A0016967 Screening compound: N-(3-chlorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

A0016967 Screening compound: N-(3-chlorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
A0016967 Screening compound: N-(3-chlorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0016967
N-(3-chlorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

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

A0016967

Molecular Formula

C28H28ClN3O3S2 (C28 H28 ClN3 O3 S2)

Compound Name

N-(3-chlorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

N-(3-chlorophenyl)-2-[(33-dimethyl-2-oxobutyl)sulfanyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CC(C)(C)C(CSC(N1CCc2ccccc2)=Nc(sc(C(Nc2cccc(Cl)c2)=O)c2C)c2C1=O)=O

InChI

InChI=1S/C28H28ClN3O3S2/c1-17-22-25(37-23(17)24(34)30-20-12-8-11-19(29)15-20)31-27(36-16-21(33)28(2,3)4)32(26(22)35)14-13-18-9-6-5-7-10-18/h5-12,15H,13-14,16H2,1-4H3,(H,30,34)

InChI Key

BALHNNKMEOATFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.13

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.587

Distribution Coefficient, logD

6.526

Water Solubility, LogSw

-6.21

Polar Surface Area

62.261

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with A0016967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0016967?
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What is the minimum amount of A0016967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0016967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0016967
  • 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 A0016967 available by request