C548-3605 Screening compound: N-{[4-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)cyclohexyl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide

C548-3605 Screening compound: N-{[4-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)cyclohexyl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide
C548-3605 Screening compound: N-{[4-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)cyclohexyl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3605
N-{[4-(2-methyl-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

C548-3605

Molecular Formula

C23H26N4O3S2 (C23 H26 N4 O3 S2)

Compound Name

N-{[4-(2-methyl-2,3-dihydro-1H-indole-1-carbonyl)cyclohexyl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

N-{[4-(2-methyl-23-dihydro-1H-indole-1-carbonyl)cyclohexyl]methyl}-213-benzothiadiazole-4-sulfonamide

SMILES

CC(C1)N(C(C2CCC(CNS(c3cccc4nsnc34)(=O)=O)CC2)=O)c2c1cccc2

InChI

InChI=1S/C23H26N4O3S2/c1-15-13-18-5-2-3-7-20(18)27(15)23(28)17-11-9-16(10-12-17)14-24-32(29,30)21-8-4-6-19-22(21)26-31-25-19/h2-8,15-17,24H,9-14H2,1H3/t15-,16?,17?/m0/s1

InChI Key

FEMLLQMEJUMWPI-GTPINHCMSA-N

MDL Number (MFCD)

MFCD14769731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.62

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

4.519

Distribution Coefficient, logD

4.517

Water Solubility, LogSw

-4.33

Polar Surface Area

77.759

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

C548-3605 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C548-3605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3605?
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What is the minimum amount of C548-3605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3605
  • 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 C548-3605 available by request