K784-8513 Screening compound: 4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-phenethyl-3-({[3-(trifluoromethyl)anilino]carbothioyl}amino)benzamide

K784-8513 Screening compound: 4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-phenethyl-3-({[3-(trifluoromethyl)anilino]carbothioyl}amino)benzamide
K784-8513 Screening compound: 4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-phenethyl-3-({[3-(trifluoromethyl)anilino]carbothioyl}amino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-8513
4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N~1~-phenethyl-3-({[3-(trifluoromethyl)anilino]carbothioyl}amino)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

K784-8513

Molecular Formula

C34H32F3N5O2S (C34 H32 F3 N5 O2 S)

Compound Name

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

IUPAC name

4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}-N-(2-phenylethyl)-3-({[3-(trifluoromethyl)phenyl]carbamothioyl}amino)benzamide

SMILES

O=C(c(cc1)cc(NC(Nc2cc(C(F)(F)F)ccc2)=S)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)NCCc1ccccc1

InChI

InChI=1S/C34H32F3N5O2S/c35-34(36,37)26-8-4-9-27(18-26)39-33(45)40-28-17-24(32(44)38-15-14-22-6-2-1-3-7-22)12-13-30(28)41-19-23-16-25(21-41)29-10-5-11-31(43)42(29)20-23/h1-13,17-18,23,25H,14-16,19-21H2,(H,38,44)(H2,39,40,45)

InChI Key

JGNFXVYEFOTHIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099200

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

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.707

Distribution Coefficient, logD

6.707

Water Solubility, LogSw

-6.36

Polar Surface Area

61.468

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.50

References: we are preparing a list of scientific research reports with K784-8513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-8513?
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What is the minimum amount of K784-8513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8513
  • 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 K784-8513 available by request