K228-0042 Screening compound: 2-{2-[(3-bromophenyl)amino]-4-phenyl-1,3-thiazol-5-yl}acetic acid

K228-0042 Screening compound: 2-{2-[(3-bromophenyl)amino]-4-phenyl-1,3-thiazol-5-yl}acetic acid
K228-0042 Screening compound: 2-{2-[(3-bromophenyl)amino]-4-phenyl-1,3-thiazol-5-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K228-0042
2-{2-[(3-bromophenyl)amino]-4-phenyl-1,3-thiazol-5-yl}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

K228-0042

Molecular Formula

C17H13BrN2O2S (C17 H13 BrN2 O2 S)

Compound Name

2-{2-[(3-bromophenyl)amino]-4-phenyl-1,3-thiazol-5-yl}acetic acid

IUPAC name

2-{2-[(3-bromophenyl)amino]-4-phenyl-13-thiazol-5-yl}acetic acid

SMILES

OC(Cc1c(-c2ccccc2)nc(Nc2cccc(Br)c2)s1)=O

InChI

InChI=1S/C17H13BrN2O2S/c18-12-7-4-8-13(9-12)19-17-20-16(11-5-2-1-3-6-11)14(23-17)10-15(21)22/h1-9H,10H2,(H,19,20)(H,21,22)

InChI Key

UAOCNVOLJOPDLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.169

Distribution Coefficient, logD

1.604

Water Solubility, LogSw

-5.19

Polar Surface Area

48.080

Acid Dissociation Constant (pKa)

3.84

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

K228-0042 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Epigenetics Focused Set (26518 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K228-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K228-0042?
Check Price and Availability of K228-0042, 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 K228-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K228-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K228-0042
  • 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 K228-0042 available by request