C548-3608 Screening compound: 4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-(diphenylmethyl)cyclohexane-1-carboxamide

C548-3608 Screening compound: 4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-(diphenylmethyl)cyclohexane-1-carboxamide
C548-3608 Screening compound: 4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-(diphenylmethyl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3608
4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-(diphenylmethyl)cyclohexane-1-carboxamide

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

C548-3608

Molecular Formula

C27H28N4O3S2 (C27 H28 N4 O3 S2)

Compound Name

4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]-N-(diphenylmethyl)cyclohexane-1-carboxamide

IUPAC name

4-[(213-benzothiadiazole-4-sulfonamido)methyl]-N-(diphenylmethyl)cyclohexane-1-carboxamide

SMILES

O=C(C1CCC(CNS(c2cccc3nsnc23)(=O)=O)CC1)NC(c1ccccc1)c1ccccc1

InChI

InChI=1S/C27H28N4O3S2/c32-27(29-25(20-8-3-1-4-9-20)21-10-5-2-6-11-21)22-16-14-19(15-17-22)18-28-36(33,34)24-13-7-12-23-26(24)31-35-30-23/h1-13,19,22,25,28H,14-18H2,(H,29,32)

InChI Key

MQHKBBOTLUBCFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.163

Distribution Coefficient, logD

5.161

Water Solubility, LogSw

-5.40

Polar Surface Area

86.635

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C548-3608 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

DGK Inhibitors Library (10558 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C548-3608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3608?
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What is the minimum amount of C548-3608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3608
  • 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 C548-3608 available by request