C242-1013 Screening compound: N~1~-butyl-2-[5,6-dimethyl-2,4-dioxo-3-phenethyl-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-ethylacetamide

C242-1013 Screening compound: N~1~-butyl-2-[5,6-dimethyl-2,4-dioxo-3-phenethyl-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-ethylacetamide
C242-1013 Screening compound: N~1~-butyl-2-[5,6-dimethyl-2,4-dioxo-3-phenethyl-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-ethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C242-1013
N~1~-butyl-2-[5,6-dimethyl-2,4-dioxo-3-phenethyl-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-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

C242-1013

Molecular Formula

C24H31N3O3S (C24 H31 N3 O3 S)

Compound Name

N~1~-butyl-2-[5,6-dimethyl-2,4-dioxo-3-phenethyl-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]-N~1~-ethylacetamide

IUPAC name

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

SMILES

CCCCN(CC)C(CN(c(sc(C)c1C)c1C(N1CCc2ccccc2)=O)C1=O)=O

InChI

InChI=1S/C24H31N3O3S/c1-5-7-14-25(6-2)20(28)16-27-23-21(17(3)18(4)31-23)22(29)26(24(27)30)15-13-19-11-9-8-10-12-19/h8-12H,5-7,13-16H2,1-4H3

InChI Key

VIMVFOBRSAMTPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.666

Distribution Coefficient, logD

4.666

Water Solubility, LogSw

-4.39

Polar Surface Area

47.627

Acid Dissociation Constant (pKa)

22.38

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.83

C242-1013 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C242-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C242-1013?
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What is the minimum amount of C242-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C242-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C242-1013
  • 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 C242-1013 available by request