C450-0780 Screening compound: 3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(4-chlorophenyl)propanamide

C450-0780 Screening compound: 3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(4-chlorophenyl)propanamide
C450-0780 Screening compound: 3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(4-chlorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C450-0780
3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(4-chlorophenyl)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

C450-0780

Molecular Formula

C19H20ClN3O4S (C19 H20 ClN3 O4 S)

Compound Name

3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(4-chlorophenyl)propanamide

IUPAC name

3-(1-acetyl-23-dihydro-1H-indole-5-sulfonamido)-N-(4-chlorophenyl)propanamide

SMILES

CC(N(CC1)c(cc2)c1cc2S(NCCC(Nc(cc1)ccc1Cl)=O)(=O)=O)=O

InChI

InChI=1S/C19H20ClN3O4S/c1-13(24)23-11-9-14-12-17(6-7-18(14)23)28(26,27)21-10-8-19(25)22-16-4-2-15(20)3-5-16/h2-7,12,21H,8-11H2,1H3,(H,22,25)

InChI Key

AIXGEGZALQNISC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14759478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.470

Distribution Coefficient, logD

2.469

Water Solubility, LogSw

-3.45

Polar Surface Area

81.406

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C450-0780 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C450-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C450-0780?
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What is the minimum amount of C450-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C450-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C450-0780
  • 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 C450-0780 available by request