D481-2122 Screening compound: 1-[5-amino-3-(2-chlorophenyl)-1H-1,2,4-triazol-1-yl]butan-1-one

D481-2122 Screening compound: 1-[5-amino-3-(2-chlorophenyl)-1H-1,2,4-triazol-1-yl]butan-1-one
D481-2122 Screening compound: 1-[5-amino-3-(2-chlorophenyl)-1H-1,2,4-triazol-1-yl]butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-2122
1-[5-amino-3-(2-chlorophenyl)-1H-1,2,4-triazol-1-yl]butan-1-one

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

D481-2122

Molecular Formula

C12H13ClN4O (C12 H13 ClN4 O)

Compound Name

1-[5-amino-3-(2-chlorophenyl)-1H-1,2,4-triazol-1-yl]butan-1-one

IUPAC name

1-[5-amino-3-(2-chlorophenyl)-1H-124-triazol-1-yl]butan-1-one

SMILES

CCCC(n1nc(-c(cccc2)c2Cl)nc1N)=O

InChI

InChI=1S/C12H13ClN4O/c1-2-5-10(18)17-12(14)15-11(16-17)8-6-3-4-7-9(8)13/h3-4,6-7H,2,5H2,1H3,(H2,14,15,16)

InChI Key

OLUCUYFQLFVMOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.479

Distribution Coefficient, logD

2.479

Water Solubility, LogSw

-3.29

Polar Surface Area

57.591

Acid Dissociation Constant (pKa)

15.86

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D481-2122 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 D481-2122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-2122?
Check Price and Availability of D481-2122, 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 D481-2122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-2122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-2122
  • 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 D481-2122 available by request