C241-2031 Screening compound: 6-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]hexanamide

C241-2031 Screening compound: 6-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]hexanamide
C241-2031 Screening compound: 6-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-2031
6-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]hexanamide

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

C241-2031

Molecular Formula

C29H32N4O5S (C29 H32 N4 O5 S)

Compound Name

6-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]hexanamide

IUPAC name

6-(1-{[(2-methoxyphenyl)carbamoyl]methyl}-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]hexanamide

SMILES

Cc1ccc(CNC(CCCCCN(C(c(scc2)c2N2CC(Nc(cccc3)c3OC)=O)=O)C2=O)=O)cc1

InChI

InChI=1S/C29H32N4O5S/c1-20-11-13-21(14-12-20)18-30-25(34)10-4-3-7-16-32-28(36)27-23(15-17-39-27)33(29(32)37)19-26(35)31-22-8-5-6-9-24(22)38-2/h5-6,8-9,11-15,17H,3-4,7,10,16,18-19H2,1-2H3,(H,30,34)(H,31,35)

InChI Key

QFXOEHVWEWMHQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.150

Distribution Coefficient, logD

4.150

Water Solubility, LogSw

-4.19

Polar Surface Area

86.817

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

References: we are preparing a list of scientific research reports with C241-2031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-2031?
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What is the minimum amount of C241-2031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-2031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-2031
  • 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 C241-2031 available by request