C361-0766 Screening compound: 1-cyclopropanecarbonyl-N-(1-phenylbutan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide

C361-0766 Screening compound: 1-cyclopropanecarbonyl-N-(1-phenylbutan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide
C361-0766 Screening compound: 1-cyclopropanecarbonyl-N-(1-phenylbutan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-0766
1-cyclopropanecarbonyl-N-(1-phenylbutan-2-yl)-2,3-dihydro-1H-indole-5-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

C361-0766

Molecular Formula

C22H26N2O3S (C22 H26 N2 O3 S)

Compound Name

1-cyclopropanecarbonyl-N-(1-phenylbutan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

1-cyclopropanecarbonyl-N-(1-phenylbutan-2-yl)-23-dihydro-1H-indole-5-sulfonamide

SMILES

CCC(Cc1ccccc1)NS(c(cc1)cc(CC2)c1N2C(C1CC1)=O)(=O)=O

InChI

InChI=1S/C22H26N2O3S/c1-2-19(14-16-6-4-3-5-7-16)23-28(26,27)20-10-11-21-18(15-20)12-13-24(21)22(25)17-8-9-17/h3-7,10-11,15,17,19,23H,2,8-9,12-14H2,1H3/t19-/m0/s1

InChI Key

GOLLWZNVWOQQLF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14752688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.629

Distribution Coefficient, logD

4.629

Water Solubility, LogSw

-4.34

Polar Surface Area

58.321

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

C361-0766 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 C361-0766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-0766?
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What is the minimum amount of C361-0766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-0766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-0766
  • 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 C361-0766 available by request