C548-3624 Screening compound: methyl 2-({4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]cyclohexyl}formamido)acetate

C548-3624 Screening compound: methyl 2-({4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]cyclohexyl}formamido)acetate
C548-3624 Screening compound: methyl 2-({4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]cyclohexyl}formamido)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3624
methyl 2-({4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]cyclohexyl}formamido)acetate

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

C548-3624

Molecular Formula

C17H22N4O5S2 (C17 H22 N4 O5 S2)

Compound Name

methyl 2-({4-[(2,1,3-benzothiadiazole-4-sulfonamido)methyl]cyclohexyl}formamido)acetate

IUPAC name

methyl 2-({4-[(213-benzothiadiazole-4-sulfonamido)methyl]cyclohexyl}formamido)acetate

SMILES

COC(CNC(C1CCC(CNS(c2cccc3nsnc23)(=O)=O)CC1)=O)=O

InChI

InChI=1S/C17H22N4O5S2/c1-26-15(22)10-18-17(23)12-7-5-11(6-8-12)9-19-28(24,25)14-4-2-3-13-16(14)21-27-20-13/h2-4,11-12,19H,5-10H2,1H3,(H,18,23)

InChI Key

FLKYPRLEZMQPKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.860

Distribution Coefficient, logD

1.859

Water Solubility, LogSw

-2.40

Polar Surface Area

108.405

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

C548-3624 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C548-3624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3624?
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What is the minimum amount of C548-3624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3624
  • 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 C548-3624 available by request