K786-0403 Screening compound: N-(4-methylphenyl)-N'-[5-[(4-methylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]thiourea

K786-0403 Screening compound: N-(4-methylphenyl)-N'-[5-[(4-methylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]thiourea
K786-0403 Screening compound: N-(4-methylphenyl)-N'-[5-[(4-methylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0403
N-(4-methylphenyl)-N'-[5-[(4-methylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]thiourea

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

K786-0403

Molecular Formula

C32H37N5O2S (C32 H37 N5 O2 S)

Compound Name

N-(4-methylphenyl)-N'-[5-[(4-methylpiperidino)carbonyl]-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]thiourea

IUPAC name

1-(4-methylphenyl)-3-[5-(4-methylpiperidine-1-carbonyl)-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}phenyl]thiourea

SMILES

CC(CC1)CCN1C(c(cc1)cc(NC(Nc2ccc(C)cc2)=S)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C32H37N5O2S/c1-21-6-9-26(10-7-21)33-32(40)34-27-17-24(31(39)35-14-12-22(2)13-15-35)8-11-29(27)36-18-23-16-25(20-36)28-4-3-5-30(38)37(28)19-23/h3-11,17,22-23,25H,12-16,18-20H2,1-2H3,(H2,33,34,40)

InChI Key

IZDMYOMFTHRTBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.815

Distribution Coefficient, logD

5.815

Water Solubility, LogSw

-5.40

Polar Surface Area

53.862

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.60

K786-0403 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K786-0403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0403?
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What is the minimum amount of K786-0403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0403
  • 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 K786-0403 available by request