K784-4131 Screening compound: ethyl 4-({N-[(4-chlorophenyl)methyl]4-acetamidobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

K784-4131 Screening compound: ethyl 4-({N-[(4-chlorophenyl)methyl]4-acetamidobenzenesulfonamido}methyl)cyclohexane-1-carboxylate
K784-4131 Screening compound: ethyl 4-({N-[(4-chlorophenyl)methyl]4-acetamidobenzenesulfonamido}methyl)cyclohexane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4131
ethyl 4-({N-[(4-chlorophenyl)methyl]4-acetamidobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

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

K784-4131

Molecular Formula

C25H31ClN2O5S (C25 H31 ClN2 O5 S)

Compound Name

ethyl 4-({N-[(4-chlorophenyl)methyl]4-acetamidobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

IUPAC name

ethyl 4-({N-[(4-chlorophenyl)methyl]4-acetamidobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

SMILES

CCOC(C1CCC(CN(Cc(cc2)ccc2Cl)S(c(cc2)ccc2NC(C)=O)(=O)=O)CC1)=O

InChI

InChI=1S/C25H31ClN2O5S/c1-3-33-25(30)21-8-4-19(5-9-21)16-28(17-20-6-10-22(26)11-7-20)34(31,32)24-14-12-23(13-15-24)27-18(2)29/h6-7,10-15,19,21H,3-5,8-9,16-17H2,1-2H3,(H,27,29)

InChI Key

BGXOABOWWDLQLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15097805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.05

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.110

Distribution Coefficient, logD

5.110

Water Solubility, LogSw

-5.34

Polar Surface Area

75.550

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

K784-4131 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 K784-4131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4131?
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What is the minimum amount of K784-4131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4131
  • 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 K784-4131 available by request