K048-0013 Screening compound: 2,4-dibromo-6-[(E)-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazin-1-ylidene}methyl]phenol

K048-0013 Screening compound: 2,4-dibromo-6-[(E)-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazin-1-ylidene}methyl]phenol
K048-0013 Screening compound: 2,4-dibromo-6-[(E)-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazin-1-ylidene}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound K048-0013
2,4-dibromo-6-[(E)-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazin-1-ylidene}methyl]phenol

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

K048-0013

Molecular Formula

C13H7Br2ClF3N3O (C13 H7 Br2 ClF3 N3 O)

Compound Name

2,4-dibromo-6-[(E)-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazin-1-ylidene}methyl]phenol

IUPAC name

24-dibromo-6-[(E)-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazin-1-ylidene}methyl]phenol

SMILES

Oc(c(/C=N/Nc1ncc(C(F)(F)F)cc1Cl)cc(Br)c1)c1Br

InChI

InChI=1S/C13H7Br2ClF3N3O/c14-8-1-6(11(23)9(15)3-8)4-21-22-12-10(16)2-7(5-20-12)13(17,18)19/h1-5,23H,(H,20,22)

InChI Key

ZMDFDZVEEHXGDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.322

Distribution Coefficient, logD

5.218

Water Solubility, LogSw

-5.68

Polar Surface Area

46.632

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

K048-0013 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K048-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K048-0013?
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What is the minimum amount of K048-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K048-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K048-0013
  • 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 K048-0013 available by request