C241-1342 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[cyclohexyl(methyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide

C241-1342 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[cyclohexyl(methyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide
C241-1342 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[cyclohexyl(methyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1342
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[cyclohexyl(methyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide

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

C241-1342

Molecular Formula

C26H30N4O6S (C26 H30 N4 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[cyclohexyl(methyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)propanamide

IUPAC name

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

SMILES

CN(C1CCCCC1)C(CN(c1c(C(N2CCC(NCc(cc3)cc4c3OCO4)=O)=O)scc1)C2=O)=O

InChI

InChI=1S/C26H30N4O6S/c1-28(18-5-3-2-4-6-18)23(32)15-30-19-10-12-37-24(19)25(33)29(26(30)34)11-9-22(31)27-14-17-7-8-20-21(13-17)36-16-35-20/h7-8,10,12-13,18H,2-6,9,11,14-16H2,1H3,(H,27,31)

InChI Key

HARRXOPRBRWHQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.860

Distribution Coefficient, logD

2.860

Water Solubility, LogSw

-3.36

Polar Surface Area

88.797

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C241-1342 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C241-1342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1342?
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What is the minimum amount of C241-1342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1342
  • 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 C241-1342 available by request