K784-9140 Screening compound: 3-{[(3,5-dimethylanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-(2,4,6-trifluorobenzyl)benzamide

K784-9140 Screening compound: 3-{[(3,5-dimethylanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-(2,4,6-trifluorobenzyl)benzamide
K784-9140 Screening compound: 3-{[(3,5-dimethylanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-(2,4,6-trifluorobenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-9140
3-{[(3,5-dimethylanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-(2,4,6-trifluorobenzyl)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

K784-9140

Molecular Formula

C34H32F3N5O2S (C34 H32 F3 N5 O2 S)

Compound Name

3-{[(3,5-dimethylanilino)carbothioyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-(2,4,6-trifluorobenzyl)benzamide

IUPAC name

3-{[(35-dimethylphenyl)carbamothioyl]amino}-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-N-[(246-trifluorophenyl)methyl]benzamide

SMILES

Cc1cc(NC(Nc(cc(cc2)C(NCc(c(F)cc(F)c3)c3F)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=S)cc(C)c1

InChI

InChI=1S/C34H32F3N5O2S/c1-19-8-20(2)10-25(9-19)39-34(45)40-29-12-22(33(44)38-15-26-27(36)13-24(35)14-28(26)37)6-7-31(29)41-16-21-11-23(18-41)30-4-3-5-32(43)42(30)17-21/h3-10,12-14,21,23H,11,15-18H2,1-2H3,(H,38,44)(H2,39,40,45)

InChI Key

FPTRCXWEIWAUPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

631.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.102

Distribution Coefficient, logD

7.102

Water Solubility, LogSw

-5.62

Polar Surface Area

61.627

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.50

K784-9140 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K784-9140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-9140?
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What is the minimum amount of K784-9140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-9140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-9140
  • 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 K784-9140 available by request