A0016896 Screening compound: ethyl 2-({6-[(3,5-dimethylphenyl)carbamoyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate

A0016896 Screening compound: ethyl 2-({6-[(3,5-dimethylphenyl)carbamoyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate
A0016896 Screening compound: ethyl 2-({6-[(3,5-dimethylphenyl)carbamoyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0016896
ethyl 2-({6-[(3,5-dimethylphenyl)carbamoyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)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

A0016896

Molecular Formula

C28H29N3O4S2 (C28 H29 N3 O4 S2)

Compound Name

ethyl 2-({6-[(3,5-dimethylphenyl)carbamoyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate

IUPAC name

ethyl 2-({6-[(35-dimethylphenyl)carbamoyl]-5-methyl-4-oxo-3-(2-phenylethyl)-3H4H-thieno[23-d]pyrimidin-2-yl}sulfanyl)acetate

SMILES

CCOC(CSC(N1CCc2ccccc2)=Nc(sc(C(Nc2cc(C)cc(C)c2)=O)c2C)c2C1=O)=O

InChI

InChI=1S/C28H29N3O4S2/c1-5-35-22(32)16-36-28-30-26-23(27(34)31(28)12-11-20-9-7-6-8-10-20)19(4)24(37-26)25(33)29-21-14-17(2)13-18(3)15-21/h6-10,13-15H,5,11-12,16H2,1-4H3,(H,29,33)

InChI Key

LIOYVXCXMNCVPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.609

Distribution Coefficient, logD

5.609

Water Solubility, LogSw

-5.37

Polar Surface Area

69.173

Acid Dissociation Constant (pKa)

10.46

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 A0016896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0016896?
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What is the minimum amount of A0016896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0016896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0016896
  • 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 A0016896 available by request