K788-6517 Screening compound: 2-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-N-[(2-chlorophenyl)methyl]acetamide

K788-6517 Screening compound: 2-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-N-[(2-chlorophenyl)methyl]acetamide
K788-6517 Screening compound: 2-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-N-[(2-chlorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6517
2-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-N-[(2-chlorophenyl)methyl]acetamide

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

K788-6517

Molecular Formula

C20H18Cl2N2O2S (C20 H18 Cl2 N2 O2 S)

Compound Name

2-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-N-[(2-chlorophenyl)methyl]acetamide

IUPAC name

2-({[2-(4-chlorophenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-N-[(2-chlorophenyl)methyl]acetamide

SMILES

Cc1c(CSCC(NCc(cccc2)c2Cl)=O)nc(-c(cc2)ccc2Cl)o1

InChI

InChI=1S/C20H18Cl2N2O2S/c1-13-18(24-20(26-13)14-6-8-16(21)9-7-14)11-27-12-19(25)23-10-15-4-2-3-5-17(15)22/h2-9H,10-12H2,1H3,(H,23,25)

InChI Key

ISQWUJJUOMVGPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.509

Distribution Coefficient, logD

5.509

Water Solubility, LogSw

-5.87

Polar Surface Area

42.560

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K788-6517 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K788-6517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6517?
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What is the minimum amount of K788-6517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6517
  • 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 K788-6517 available by request