8018-9529 Screening compound: 2,2-dimethyl-N-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]propanamide

8018-9529 Screening compound: 2,2-dimethyl-N-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]propanamide
8018-9529 Screening compound: 2,2-dimethyl-N-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9529
2,2-dimethyl-N-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]propanamide

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

8018-9529

Molecular Formula

C12H15N5O (C12 H15 N5 O)

Compound Name

2,2-dimethyl-N-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]propanamide

IUPAC name

22-dimethyl-N-[5-(pyridin-4-yl)-4H-124-triazol-3-yl]propanamide

SMILES

CC(C)(C)C(Nc1nnc(-c2ccncc2)[nH]1)=O

InChI

InChI=1S/C12H15N5O/c1-12(2,3)10(18)15-11-14-9(16-17-11)8-4-6-13-7-5-8/h4-7H,1-3H3,(H2,14,15,16,17,18)

InChI Key

VHKQYCBLTLJSHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.566

Distribution Coefficient, logD

0.118

Water Solubility, LogSw

-1.04

Polar Surface Area

67.948

Acid Dissociation Constant (pKa)

7.14

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8018-9529 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8018-9529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9529?
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What is the minimum amount of 8018-9529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9529
  • 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 8018-9529 available by request