D348-0122 Screening compound: N-(5-chloro-2-phenoxyphenyl)-1-(ethanesulfonyl)-2,3-dihydro-1H-indole-5-carboxamide

D348-0122 Screening compound: N-(5-chloro-2-phenoxyphenyl)-1-(ethanesulfonyl)-2,3-dihydro-1H-indole-5-carboxamide
D348-0122 Screening compound: N-(5-chloro-2-phenoxyphenyl)-1-(ethanesulfonyl)-2,3-dihydro-1H-indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D348-0122
N-(5-chloro-2-phenoxyphenyl)-1-(ethanesulfonyl)-2,3-dihydro-1H-indole-5-carboxamide

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

D348-0122

Molecular Formula

C23H21ClN2O4S (C23 H21 ClN2 O4 S)

Compound Name

N-(5-chloro-2-phenoxyphenyl)-1-(ethanesulfonyl)-2,3-dihydro-1H-indole-5-carboxamide

IUPAC name

N-(5-chloro-2-phenoxyphenyl)-1-(ethanesulfonyl)-23-dihydro-1H-indole-5-carboxamide

SMILES

CCS(N(CC1)c(cc2)c1cc2C(Nc(cc(cc1)Cl)c1Oc1ccccc1)=O)(=O)=O

InChI

InChI=1S/C23H21ClN2O4S/c1-2-31(28,29)26-13-12-16-14-17(8-10-21(16)26)23(27)25-20-15-18(24)9-11-22(20)30-19-6-4-3-5-7-19/h3-11,14-15H,2,12-13H2,1H3,(H,25,27)

InChI Key

BYRQGFJOTUBOTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09673671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.681

Distribution Coefficient, logD

4.660

Water Solubility, LogSw

-4.91

Polar Surface Area

61.150

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D348-0122 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with D348-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D348-0122?
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What is the minimum amount of D348-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D348-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D348-0122
  • 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 D348-0122 available by request