C548-3485 Screening compound: N-{[4-(2,3-DIHYDRO-1H-INDOLE-1-CARBONYL)CYCLOHEXYL]METHYL}-2,1,3-BENZOTHIADIAZOLE-4-SULFONAMIDE

C548-3485 Screening compound: N-{[4-(2,3-DIHYDRO-1H-INDOLE-1-CARBONYL)CYCLOHEXYL]METHYL}-2,1,3-BENZOTHIADIAZOLE-4-SULFONAMIDE
C548-3485 Screening compound: N-{[4-(2,3-DIHYDRO-1H-INDOLE-1-CARBONYL)CYCLOHEXYL]METHYL}-2,1,3-BENZOTHIADIAZOLE-4-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3485
N-{[4-(2,3-DIHYDRO-1H-INDOLE-1-CARBONYL)CYCLOHEXYL]METHYL}-2,1,3-BENZOTHIADIAZOLE-4-SULFONAMIDE

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

C548-3485

Molecular Formula

C22H24N4O3S2 (C22 H24 N4 O3 S2)

Compound Name

N-{[4-(2,3-DIHYDRO-1H-INDOLE-1-CARBONYL)CYCLOHEXYL]METHYL}-2,1,3-BENZOTHIADIAZOLE-4-SULFONAMIDE

IUPAC name

n/a

SMILES

O=C(C1CCC(CNS(c2cccc3nsnc23)(=O)=O)CC1)N(CC1)c2c1cccc2

InChI

InChI=1S/C22H24N4O3S2/c27-22(26-13-12-16-4-1-2-6-19(16)26)17-10-8-15(9-11-17)14-23-31(28,29)20-7-3-5-18-21(20)25-30-24-18/h1-7,15,17,23H,8-14H2

InChI Key

VRRYVSQLWMQJBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.261

Distribution Coefficient, logD

4.260

Water Solubility, LogSw

-4.39

Polar Surface Area

78.820

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C548-3485 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C548-3485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3485?
Check Price and Availability of C548-3485, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C548-3485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3485
  • 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 C548-3485 available by request