K780-0644 Screening compound: 2-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)acetic acid

K780-0644 Screening compound: 2-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)acetic acid
K780-0644 Screening compound: 2-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-0644
2-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)acetic acid

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

K780-0644

Molecular Formula

C13H12ClNO3S (C13 H12 ClNO3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C13H12ClNO3S/c1-8-11(6-19-7-12(16)17)15-13(18-8)9-4-2-3-5-10(9)14/h2-5H,6-7H2,1H3,(H,16,17)

InChI Key

QCWBUAORIBKPAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.76

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.923

Distribution Coefficient, logD

-0.513

Water Solubility, LogSw

-3.44

Polar Surface Area

46.744

Acid Dissociation Constant (pKa)

3.96

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K780-0644 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 K780-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-0644?
Check Price and Availability of K780-0644, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K780-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-0644
  • 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 K780-0644 available by request