C241-1626 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)hexanamide

C241-1626 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)hexanamide
C241-1626 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1626
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)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

C241-1626

Molecular Formula

C29H29ClN4O6S (C29 H29 ClN4 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)hexanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-6-(1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl)hexanamide

SMILES

Cc(ccc(Cl)c1)c1NC(CN(c1c(C(N2CCCCCC(NCc(cc3)cc4c3OCO4)=O)=O)scc1)C2=O)=O

InChI

InChI=1S/C29H29ClN4O6S/c1-18-6-8-20(30)14-21(18)32-26(36)16-34-22-10-12-41-27(22)28(37)33(29(34)38)11-4-2-3-5-25(35)31-15-19-7-9-23-24(13-19)40-17-39-23/h6-10,12-14H,2-5,11,15-17H2,1H3,(H,31,35)(H,32,36)

InChI Key

MOYABZVFZULWEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04444742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

597.09

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.343

Distribution Coefficient, logD

4.343

Water Solubility, LogSw

-4.50

Polar Surface Area

96.302

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

References: we are preparing a list of scientific research reports with C241-1626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1626?
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What is the minimum amount of C241-1626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1626
  • 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 C241-1626 available by request