C242-0829 Screening compound: N-benzyl-2-{5,6-dimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl}-N-ethylacetamide

C242-0829 Screening compound: N-benzyl-2-{5,6-dimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl}-N-ethylacetamide
C242-0829 Screening compound: N-benzyl-2-{5,6-dimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl}-N-ethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C242-0829
N-benzyl-2-{5,6-dimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl}-N-ethylacetamide

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

C242-0829

Molecular Formula

C25H25N3O3S (C25 H25 N3 O3 S)

Compound Name

N-benzyl-2-{5,6-dimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl}-N-ethylacetamide

IUPAC name

N-benzyl-2-{56-dimethyl-24-dioxo-3-phenyl-1H2H3H4H-thieno[23-d]pyrimidin-1-yl}-N-ethylacetamide

SMILES

CCN(Cc1ccccc1)C(CN(c(sc(C)c1C)c1C(N1c2ccccc2)=O)C1=O)=O

InChI

InChI=1S/C25H25N3O3S/c1-4-26(15-19-11-7-5-8-12-19)21(29)16-27-24-22(17(2)18(3)32-24)23(30)28(25(27)31)20-13-9-6-10-14-20/h5-14H,4,15-16H2,1-3H3

InChI Key

RQEWZIYNYIJGCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.783

Distribution Coefficient, logD

3.783

Water Solubility, LogSw

-4.04

Polar Surface Area

46.787

Acid Dissociation Constant (pKa)

21.93

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with C242-0829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C242-0829?
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What is the minimum amount of C242-0829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C242-0829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C242-0829
  • 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 C242-0829 available by request