8018-8751 Screening compound: 2-methyl-3-(1H-1,2,4-triazol-1-yl)propanoic acid

8018-8751 Screening compound: 2-methyl-3-(1H-1,2,4-triazol-1-yl)propanoic acid
8018-8751 Screening compound: 2-methyl-3-(1H-1,2,4-triazol-1-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8751
2-methyl-3-(1H-1,2,4-triazol-1-yl)propanoic 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

8018-8751

Molecular Formula

C6H9N3O2 (C6 H9 N3 O2)

Compound Name

2-methyl-3-(1H-1,2,4-triazol-1-yl)propanoic acid

IUPAC name

2-methyl-3-(1H-124-triazol-1-yl)propanoic acid

SMILES

CC(Cn1ncnc1)C(O)=O

InChI

InChI=1S/C6H9N3O2/c1-5(6(10)11)2-9-4-7-3-8-9/h3-5H,2H2,1H3,(H,10,11)/t5-/m0/s1

InChI Key

OVRXBUIJPGFSBE-YFKPBYRVSA-N

MDL Number (MFCD)

MFCD07186494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

155.16

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.823

Distribution Coefficient, logD

-3.419

Water Solubility, LogSw

0.02

Polar Surface Area

53.895

Acid Dissociation Constant (pKa)

4.81

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8018-8751 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8018-8751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8751?
Check Price and Availability of 8018-8751, 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 8018-8751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8751
  • 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 8018-8751 available by request