K786-3673 Screening compound: ethyl 4-(3-{[(3,4-dichlorophenyl)carbamoyl]amino}-4-(piperidin-1-yl)benzoyl)piperazine-1-carboxylate

K786-3673 Screening compound: ethyl 4-(3-{[(3,4-dichlorophenyl)carbamoyl]amino}-4-(piperidin-1-yl)benzoyl)piperazine-1-carboxylate
K786-3673 Screening compound: ethyl 4-(3-{[(3,4-dichlorophenyl)carbamoyl]amino}-4-(piperidin-1-yl)benzoyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-3673
ethyl 4-(3-{[(3,4-dichlorophenyl)carbamoyl]amino}-4-(piperidin-1-yl)benzoyl)piperazine-1-carboxylate

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

K786-3673

Molecular Formula

C26H31Cl2N5O4 (C26 H31 Cl2 N5 O4)

Compound Name

ethyl 4-(3-{[(3,4-dichlorophenyl)carbamoyl]amino}-4-(piperidin-1-yl)benzoyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-(3-{[(34-dichlorophenyl)carbamoyl]amino}-4-(piperidin-1-yl)benzoyl)piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c(cc1)cc(NC(Nc(cc2)cc(Cl)c2Cl)=O)c1N1CCCCC1)=O)=O

InChI

InChI=1S/C26H31Cl2N5O4/c1-2-37-26(36)33-14-12-32(13-15-33)24(34)18-6-9-23(31-10-4-3-5-11-31)22(16-18)30-25(35)29-19-7-8-20(27)21(28)17-19/h6-9,16-17H,2-5,10-15H2,1H3,(H2,29,30,35)

InChI Key

CYBVAZRVOVZKIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.690

Distribution Coefficient, logD

5.689

Water Solubility, LogSw

-6.03

Polar Surface Area

74.424

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

K786-3673 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with K786-3673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-3673?
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What is the minimum amount of K786-3673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-3673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-3673
  • 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 K786-3673 available by request