1355-0046 Screening compound: 2-methoxy-4-[(E)-[(1H-1,2,4-triazol-1-yl)imino]methyl]phenol

1355-0046 Screening compound: 2-methoxy-4-[(E)-[(1H-1,2,4-triazol-1-yl)imino]methyl]phenol
1355-0046 Screening compound: 2-methoxy-4-[(E)-[(1H-1,2,4-triazol-1-yl)imino]methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1355-0046
2-methoxy-4-[(E)-[(1H-1,2,4-triazol-1-yl)imino]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

1355-0046

Molecular Formula

C10H10N4O2 (C10 H10 N4 O2)

Compound Name

2-methoxy-4-[(E)-[(1H-1,2,4-triazol-1-yl)imino]methyl]phenol

IUPAC name

2-methoxy-4-[(E)-[(1H-124-triazol-1-yl)imino]methyl]phenol

SMILES

COc(cc(/C=N/n1ncnc1)cc1)c1O

InChI

InChI=1S/C10H10N4O2/c1-16-10-4-8(2-3-9(10)15)5-12-14-7-11-6-13-14/h2-7,15H,1H3

InChI Key

HNHLTCCXORTFEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.098

Distribution Coefficient, logD

0.095

Water Solubility, LogSw

-1.23

Polar Surface Area

57.362

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

1355-0046 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1355-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1355-0046?
Check Price and Availability of 1355-0046, 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 1355-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1355-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1355-0046
  • 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 1355-0046 available by request