K784-9073 Screening compound: N~1~-(3-ethoxypropyl)-3-({[3-(methylsulfanyl)anilino]carbothioyl}amino)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K784-9073 Screening compound: N~1~-(3-ethoxypropyl)-3-({[3-(methylsulfanyl)anilino]carbothioyl}amino)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K784-9073 Screening compound: N~1~-(3-ethoxypropyl)-3-({[3-(methylsulfanyl)anilino]carbothioyl}amino)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-9073
N~1~-(3-ethoxypropyl)-3-({[3-(methylsulfanyl)anilino]carbothioyl}amino)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)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

K784-9073

Molecular Formula

C31H37N5O3S2 (C31 H37 N5 O3 S2)

Compound Name

N~1~-(3-ethoxypropyl)-3-({[3-(methylsulfanyl)anilino]carbothioyl}amino)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

N-(3-ethoxypropyl)-3-({[3-(methylsulfanyl)phenyl]carbamothioyl}amino)-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

CCOCCCNC(c(cc1)cc(NC(Nc2cc(SC)ccc2)=S)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C31H37N5O3S2/c1-3-39-14-6-13-32-30(38)22-11-12-28(26(16-22)34-31(40)33-24-7-4-8-25(17-24)41-2)35-18-21-15-23(20-35)27-9-5-10-29(37)36(27)19-21/h4-5,7-12,16-17,21,23H,3,6,13-15,18-20H2,1-2H3,(H,32,38)(H2,33,34,40)

InChI Key

JPPRGBPQMWPKPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

591.8

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.187

Distribution Coefficient, logD

5.187

Water Solubility, LogSw

-5.03

Polar Surface Area

69.717

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.70

K784-9073 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with K784-9073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-9073?
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What is the minimum amount of K784-9073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-9073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-9073
  • 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 K784-9073 available by request