8017-3562 Screening compound: [4-(hydroxymethyl)-1-(3-methylphenyl)-1H-1,2,3-triazol-5-yl]methanol

8017-3562 Screening compound: [4-(hydroxymethyl)-1-(3-methylphenyl)-1H-1,2,3-triazol-5-yl]methanol
8017-3562 Screening compound: [4-(hydroxymethyl)-1-(3-methylphenyl)-1H-1,2,3-triazol-5-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3562
[4-(hydroxymethyl)-1-(3-methylphenyl)-1H-1,2,3-triazol-5-yl]methanol

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

8017-3562

Molecular Formula

C11H13N3O2 (C11 H13 N3 O2)

Compound Name

[4-(hydroxymethyl)-1-(3-methylphenyl)-1H-1,2,3-triazol-5-yl]methanol

IUPAC name

[5-(hydroxymethyl)-1-(3-methylphenyl)-1H-123-triazol-4-yl]methanol

SMILES

Cc1cccc(-n2nnc(CO)c2CO)c1

InChI

InChI=1S/C11H13N3O2/c1-8-3-2-4-9(5-8)14-11(7-16)10(6-15)12-13-14/h2-5,15-16H,6-7H2,1H3

InChI Key

ISZRWLBQJGUJMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

219.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.692

Distribution Coefficient, logD

0.692

Water Solubility, LogSw

-0.74

Polar Surface Area

61.317

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

8017-3562 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-3562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3562?
Check Price and Availability of 8017-3562, 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 8017-3562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3562
  • 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 8017-3562 available by request