C241-1383 Screening compound: 4-(1-{[cyclohexyl(methyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]butanamide

C241-1383 Screening compound: 4-(1-{[cyclohexyl(methyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]butanamide
C241-1383 Screening compound: 4-(1-{[cyclohexyl(methyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C241-1383
4-(1-{[cyclohexyl(methyl)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]butanamide

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

C241-1383

Molecular Formula

C27H34N4O4S (C27 H34 N4 O4 S)

Compound Name

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

IUPAC name

4-(1-{[cyclohexyl(methyl)carbamoyl]methyl}-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]butanamide

SMILES

Cc1ccc(CNC(CCCN(C(c(scc2)c2N2CC(N(C)C3CCCCC3)=O)=O)C2=O)=O)cc1

InChI

InChI=1S/C27H34N4O4S/c1-19-10-12-20(13-11-19)17-28-23(32)9-6-15-30-26(34)25-22(14-16-36-25)31(27(30)35)18-24(33)29(2)21-7-4-3-5-8-21/h10-14,16,21H,3-9,15,17-18H2,1-2H3,(H,28,32)

InChI Key

DGYSTOLCQYOVOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.117

Distribution Coefficient, logD

3.117

Water Solubility, LogSw

-3.39

Polar Surface Area

71.681

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

C241-1383 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C241-1383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1383?
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What is the minimum amount of C241-1383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1383
  • 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 C241-1383 available by request