K048-0112 Screening compound: 3-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]-2-methylbenzoic acid

K048-0112 Screening compound: 3-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]-2-methylbenzoic acid
K048-0112 Screening compound: 3-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]-2-methylbenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K048-0112
3-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]-2-methylbenzoic 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

K048-0112

Molecular Formula

C15H11Br2NO3 (C15 H11 Br2 NO3)

Compound Name

3-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]-2-methylbenzoic acid

IUPAC name

3-[(E)-[(35-dibromo-2-hydroxyphenyl)methylidene]amino]-2-methylbenzoic acid

SMILES

Cc(c(C(O)=O)ccc1)c1/N=C/c1cc(Br)cc(Br)c1O

InChI

InChI=1S/C15H11Br2NO3/c1-8-11(15(20)21)3-2-4-13(8)18-7-9-5-10(16)6-12(17)14(9)19/h2-7,19H,1H3,(H,20,21)

InChI Key

ARODOYFAWYMBKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.07

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.783

Distribution Coefficient, logD

1.612

Water Solubility, LogSw

-4.37

Polar Surface Area

51.555

Acid Dissociation Constant (pKa)

4.23

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

K048-0112 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K048-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K048-0112?
Check Price and Availability of K048-0112, 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 K048-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K048-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K048-0112
  • 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 K048-0112 available by request