C361-1592 Screening compound: N-(3-ethylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide

C361-1592 Screening compound: N-(3-ethylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide
C361-1592 Screening compound: N-(3-ethylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-1592
N-(3-ethylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide

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

C361-1592

Molecular Formula

C23H28N2O4S (C23 H28 N2 O4 S)

Compound Name

N-(3-ethylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide

IUPAC name

N-(3-ethylphenyl)-3-[(2-methyl-1-propanoyl-23-dihydro-1H-indol-5-yl)sulfonyl]propanamide

SMILES

CCC(N(C(C)C1)c(cc2)c1cc2S(CCC(Nc1cc(CC)ccc1)=O)(=O)=O)=O

InChI

InChI=1S/C23H28N2O4S/c1-4-17-7-6-8-19(14-17)24-22(26)11-12-30(28,29)20-9-10-21-18(15-20)13-16(3)25(21)23(27)5-2/h6-10,14-16H,4-5,11-13H2,1-3H3,(H,24,26)/t16-/m1/s1

InChI Key

PYUWQCYKRBOGHG-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14752952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.350

Distribution Coefficient, logD

3.350

Water Solubility, LogSw

-3.77

Polar Surface Area

66.514

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

C361-1592 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 C361-1592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-1592?
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What is the minimum amount of C361-1592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-1592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-1592
  • 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 C361-1592 available by request