3341-1578 Screening compound: N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzamide

3341-1578 Screening compound: N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzamide
3341-1578 Screening compound: N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3341-1578
N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(1,2,3,4-tetrahydroquinoline-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

3341-1578

Molecular Formula

C25H23N3O3S2 (C25 H23 N3 O3 S2)

Compound Name

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

IUPAC name

N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-4-(1234-tetrahydroquinoline-1-sulfonyl)benzamide

SMILES

N#CCCSc(cccc1)c1NC(c(cc1)ccc1S(N(CCC1)c2c1cccc2)(=O)=O)=O

InChI

InChI=1S/C25H23N3O3S2/c26-16-6-18-32-24-11-4-2-9-22(24)27-25(29)20-12-14-21(15-13-20)33(30,31)28-17-5-8-19-7-1-3-10-23(19)28/h1-4,7,9-15H,5-6,8,17-18H2,(H,27,29)

InChI Key

BBRGKLDFCBKBOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03015771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.61

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

3.725

Distribution Coefficient, logD

3.724

Water Solubility, LogSw

-4.14

Polar Surface Area

71.276

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3341-1578 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3341-1578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3341-1578?
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What is the minimum amount of 3341-1578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3341-1578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3341-1578
  • 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 3341-1578 available by request