E742-0052 Screening compound: 4-[(3-chloroanilino)methyl]-5-(hydroxymethyl)-2-methyl-3-pyridinol

E742-0052 Screening compound: 4-[(3-chloroanilino)methyl]-5-(hydroxymethyl)-2-methyl-3-pyridinol
E742-0052 Screening compound: 4-[(3-chloroanilino)methyl]-5-(hydroxymethyl)-2-methyl-3-pyridinol alternative view

Chemical Structure Depiction of ChemDiv screening compound E742-0052
4-[(3-chloroanilino)methyl]-5-(hydroxymethyl)-2-methyl-3-pyridinol

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

E742-0052

Molecular Formula

C14H15ClN2O2 (C14 H15 ClN2 O2)

Compound Name

4-[(3-chloroanilino)methyl]-5-(hydroxymethyl)-2-methyl-3-pyridinol

IUPAC name

4-{[(3-chlorophenyl)amino]methyl}-5-(hydroxymethyl)-2-methylpyridin-3-ol

SMILES

Cc1ncc(CO)c(CNc2cccc(Cl)c2)c1O

InChI

InChI=1S/C14H15ClN2O2/c1-9-14(19)13(10(8-18)6-16-9)7-17-12-4-2-3-11(15)5-12/h2-6,17-19H,7-8H2,1H3

InChI Key

DBKPVEDQVCRBRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.74

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.417

Distribution Coefficient, logD

2.407

Water Solubility, LogSw

-2.57

Polar Surface Area

52.782

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

E742-0052 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E742-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E742-0052?
Check Price and Availability of E742-0052, 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 E742-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E742-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E742-0052
  • 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 E742-0052 available by request