C242-0335 Screening compound: N-benzyl-2-[3-(2,4-dimethoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]-N-ethylacetamide

C242-0335 Screening compound: N-benzyl-2-[3-(2,4-dimethoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]-N-ethylacetamide
C242-0335 Screening compound: N-benzyl-2-[3-(2,4-dimethoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]-N-ethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C242-0335
N-benzyl-2-[3-(2,4-dimethoxyphenyl)-5,6-dimethyl-2,4-dioxo-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

C242-0335

Molecular Formula

C27H29N3O5S (C27 H29 N3 O5 S)

Compound Name

N-benzyl-2-[3-(2,4-dimethoxyphenyl)-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]-N-ethylacetamide

IUPAC name

N-benzyl-2-[3-(24-dimethoxyphenyl)-56-dimethyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidin-1-yl]-N-ethylacetamide

SMILES

CCN(Cc1ccccc1)C(CN(c(sc(C)c1C)c1C(N1c(ccc(OC)c2)c2OC)=O)C1=O)=O

InChI

InChI=1S/C27H29N3O5S/c1-6-28(15-19-10-8-7-9-11-19)23(31)16-29-26-24(17(2)18(3)36-26)25(32)30(27(29)33)21-13-12-20(34-4)14-22(21)35-5/h7-14H,6,15-16H2,1-5H3

InChI Key

VPFHRLCSAOOYKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.107

Distribution Coefficient, logD

4.107

Water Solubility, LogSw

-4.37

Polar Surface Area

61.660

Acid Dissociation Constant (pKa)

21.93

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C242-0335 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C242-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C242-0335?
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What is the minimum amount of C242-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C242-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C242-0335
  • 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 C242-0335 available by request