3341-1579 Screening compound: N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(2,3-dihydro-1H-indole-1-sulfonyl)benzamide

3341-1579 Screening compound: N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(2,3-dihydro-1H-indole-1-sulfonyl)benzamide
3341-1579 Screening compound: N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(2,3-dihydro-1H-indole-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3341-1579
N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(2,3-dihydro-1H-indole-1-sulfonyl)benzamide

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

3341-1579

Molecular Formula

C24H21N3O3S2 (C24 H21 N3 O3 S2)

Compound Name

N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(2,3-dihydro-1H-indole-1-sulfonyl)benzamide

IUPAC name

N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(23-dihydro-1H-indole-1-sulfonyl)benzamide

SMILES

N#CCCSc(cccc1)c1NC(c(cc1)ccc1S(N(CC1)c2c1cccc2)(=O)=O)=O

InChI

InChI=1S/C24H21N3O3S2/c25-15-5-17-31-23-9-4-2-7-21(23)26-24(28)19-10-12-20(13-11-19)32(29,30)27-16-14-18-6-1-3-8-22(18)27/h1-4,6-13H,5,14,16-17H2,(H,26,28)

InChI Key

SCDRHIDTBGQAGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03015772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

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

3.610

Distribution Coefficient, logD

3.609

Water Solubility, LogSw

-3.82

Polar Surface Area

71.642

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3341-1579 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3341-1579 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3341-1579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3341-1579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3341-1579
  • 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 3341-1579 available by request