3253-0790 Screening compound: 2-{2-[(Z)-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl]phenoxy}acetic acid

3253-0790 Screening compound: 2-{2-[(Z)-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl]phenoxy}acetic acid
3253-0790 Screening compound: 2-{2-[(Z)-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl]phenoxy}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-0790
2-{2-[(Z)-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl]phenoxy}acetic acid

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

3253-0790

Molecular Formula

C13H14N4O3 (C13 H14 N4 O3)

Compound Name

2-{2-[(Z)-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl]phenoxy}acetic acid

IUPAC name

n/a

SMILES

Cc1nnc(C)n1/N=C\c(cccc1)c1OCC(O)=O

InChI

InChI=1S/C13H14N4O3/c1-9-15-16-10(2)17(9)14-7-11-5-3-4-6-12(11)20-8-13(18)19/h3-7H,8H2,1-2H3,(H,18,19)

InChI Key

IECIACJWLXXSGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01827236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.569

Distribution Coefficient, logD

-3.668

Water Solubility, LogSw

-1.69

Polar Surface Area

72.818

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 3253-0790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-0790?
Check Price and Availability of 3253-0790, 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 3253-0790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-0790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-0790
  • 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 3253-0790 available by request