K786-0432 Screening compound: 3-{[(3,4-dimethylanilino)carbothioyl]amino}-N~1~-(4-methylbenzyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K786-0432 Screening compound: 3-{[(3,4-dimethylanilino)carbothioyl]amino}-N~1~-(4-methylbenzyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K786-0432 Screening compound: 3-{[(3,4-dimethylanilino)carbothioyl]amino}-N~1~-(4-methylbenzyl)-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 K786-0432
3-{[(3,4-dimethylanilino)carbothioyl]amino}-N~1~-(4-methylbenzyl)-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

K786-0432

Molecular Formula

C35H37N5O2S (C35 H37 N5 O2 S)

Compound Name

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

IUPAC name

3-{[(34-dimethylphenyl)carbamothioyl]amino}-N-[(4-methylphenyl)methyl]-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

Cc1ccc(CNC(c(cc2)cc(NC(Nc3cc(C)c(C)cc3)=S)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)cc1

InChI

InChI=1S/C35H37N5O2S/c1-22-7-10-25(11-8-22)18-36-34(42)27-12-14-32(30(17-27)38-35(43)37-29-13-9-23(2)24(3)15-29)39-19-26-16-28(21-39)31-5-4-6-33(41)40(31)20-26/h4-15,17,26,28H,16,18-21H2,1-3H3,(H,36,42)(H2,37,38,43)

InChI Key

GYNAXUWDDPEMTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

591.78

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

7.141

Distribution Coefficient, logD

7.141

Water Solubility, LogSw

-5.52

Polar Surface Area

61.627

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with K786-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0432?
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What is the minimum amount of K786-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0432
  • 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 K786-0432 available by request