K786-0264 Screening compound: N~1~-butyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-[(4-toluidinocarbothioyl)amino]benzamide

K786-0264 Screening compound: N~1~-butyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-[(4-toluidinocarbothioyl)amino]benzamide
K786-0264 Screening compound: N~1~-butyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-[(4-toluidinocarbothioyl)amino]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0264
N~1~-butyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-[(4-toluidinocarbothioyl)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

K786-0264

Molecular Formula

C30H35N5O2S (C30 H35 N5 O2 S)

Compound Name

N~1~-butyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-[(4-toluidinocarbothioyl)amino]benzamide

IUPAC name

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

SMILES

CCCCNC(c(cc1)cc(NC(Nc2ccc(C)cc2)=S)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C30H35N5O2S/c1-3-4-14-31-29(37)22-10-13-27(25(16-22)33-30(38)32-24-11-8-20(2)9-12-24)34-17-21-15-23(19-34)26-6-5-7-28(36)35(26)18-21/h5-13,16,21,23H,3-4,14-15,17-19H2,1-2H3,(H,31,37)(H2,32,33,38)

InChI Key

HOYFOORZKDLBSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.966

Distribution Coefficient, logD

5.966

Water Solubility, LogSw

-5.35

Polar Surface Area

61.740

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.70

K786-0264 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with K786-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0264?
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What is the minimum amount of K786-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0264
  • 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 K786-0264 available by request