C241-1973 Screening compound: N-benzyl-6-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide

C241-1973 Screening compound: N-benzyl-6-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide
C241-1973 Screening compound: N-benzyl-6-[1-({[2-(cyclohex-1-en-1-yl)ethyl]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 C241-1973
N-benzyl-6-[1-({[2-(cyclohex-1-en-1-yl)ethyl]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

C241-1973

Molecular Formula

C29H36N4O4S (C29 H36 N4 O4 S)

Compound Name

N-benzyl-6-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]hexanamide

IUPAC name

N-benzyl-6-[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl]hexanamide

SMILES

O=C(CCCCCN(C(c(scc1)c1N1CC(NCCC2=CCCCC2)=O)=O)C1=O)NCc1ccccc1

InChI

InChI=1S/C29H36N4O4S/c34-25(31-20-23-12-6-2-7-13-23)14-8-3-9-18-32-28(36)27-24(16-19-38-27)33(29(32)37)21-26(35)30-17-15-22-10-4-1-5-11-22/h2,6-7,10,12-13,16,19H,1,3-5,8-9,11,14-15,17-18,20-21H2,(H,30,35)(H,31,34)

InChI Key

YUCMRGFDTUHQII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14734784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.696

Distribution Coefficient, logD

3.696

Water Solubility, LogSw

-3.79

Polar Surface Area

81.240

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

C241-1973 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C241-1973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C241-1973?
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What is the minimum amount of C241-1973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C241-1973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C241-1973
  • 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 C241-1973 available by request