0529-0022 Screening compound: 5-(chloromethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol

0529-0022 Screening compound: 5-(chloromethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol
0529-0022 Screening compound: 5-(chloromethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0529-0022
5-(chloromethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol

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

0529-0022

Molecular Formula

C8H10ClNO2 (C8 H10 ClNO2)

Compound Name

5-(chloromethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol

IUPAC name

5-(chloromethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol

SMILES

Cc(ncc(CCl)c1CO)c1O

InChI

InChI=1S/C8H10ClNO2/c1-5-8(12)7(4-11)6(2-9)3-10-5/h3,11-12H,2,4H2,1H3

InChI Key

ACDHRNXIPTYGEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00456721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

187.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.009

Distribution Coefficient, logD

0.996

Water Solubility, LogSw

-1.07

Polar Surface Area

42.547

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

0529-0022 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 0529-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0529-0022?
Check Price and Availability of 0529-0022, 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 0529-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0529-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0529-0022
  • 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 0529-0022 available by request