K786-5476 Screening compound: (2E)-N-[2-(4-chlorophenyl)ethyl]-2-{[4-({[2-(4-chlorophenyl)ethyl]carbamoyl}methyl)-2-imino-2,3-dihydro-1,3-thiazol-3-yl]imino}propanamide

K786-5476 Screening compound: (2E)-N-[2-(4-chlorophenyl)ethyl]-2-{[4-({[2-(4-chlorophenyl)ethyl]carbamoyl}methyl)-2-imino-2,3-dihydro-1,3-thiazol-3-yl]imino}propanamide
K786-5476 Screening compound: (2E)-N-[2-(4-chlorophenyl)ethyl]-2-{[4-({[2-(4-chlorophenyl)ethyl]carbamoyl}methyl)-2-imino-2,3-dihydro-1,3-thiazol-3-yl]imino}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5476
(2E)-N-[2-(4-chlorophenyl)ethyl]-2-{[4-({[2-(4-chlorophenyl)ethyl]carbamoyl}methyl)-2-imino-2,3-dihydro-1,3-thiazol-3-yl]imino}propanamide

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

K786-5476

Molecular Formula

C24H25Cl2N5O2S (C24 H25 Cl2 N5 O2 S)

Compound Name

(2E)-N-[2-(4-chlorophenyl)ethyl]-2-{[4-({[2-(4-chlorophenyl)ethyl]carbamoyl}methyl)-2-imino-2,3-dihydro-1,3-thiazol-3-yl]imino}propanamide

IUPAC name

(2E)-N-[2-(4-chlorophenyl)ethyl]-2-{[4-({[2-(4-chlorophenyl)ethyl]carbamoyl}methyl)-2-imino-23-dihydro-13-thiazol-3-yl]imino}propanamide

SMILES

C/C(/C(NCCc(cc1)ccc1Cl)=O)=N\N(C(CC(NCCc(cc1)ccc1Cl)=O)=CS1)C1=N

InChI

InChI=1S/C24H25Cl2N5O2S/c1-16(23(33)29-13-11-18-4-8-20(26)9-5-18)30-31-21(15-34-24(31)27)14-22(32)28-12-10-17-2-6-19(25)7-3-17/h2-9,15,27H,10-14H2,1H3,(H,28,32)(H,29,33)

InChI Key

LNIYUXMTLFRZPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03832444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.404

Distribution Coefficient, logD

3.404

Water Solubility, LogSw

-3.89

Polar Surface Area

78.697

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K786-5476 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K786-5476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5476?
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What is the minimum amount of K786-5476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5476
  • 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 K786-5476 available by request