Y032-1122 Screening compound: 1-(1H-1,2,3-benzotriazol-1-yl)-3-methyl-1-butanone

Y032-1122 Screening compound: 1-(1H-1,2,3-benzotriazol-1-yl)-3-methyl-1-butanone
Y032-1122 Screening compound: 1-(1H-1,2,3-benzotriazol-1-yl)-3-methyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-1122
1-(1H-1,2,3-benzotriazol-1-yl)-3-methyl-1-butanone

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

Y032-1122

Molecular Formula

C11H13N3O (C11 H13 N3 O)

Compound Name

1-(1H-1,2,3-benzotriazol-1-yl)-3-methyl-1-butanone

IUPAC name

1-(1H-123-benzotriazol-1-yl)-3-methylbutan-1-one

SMILES

CC(C)CC(n1nnc2c1cccc2)=O

InChI

InChI=1S/C11H13N3O/c1-8(2)7-11(15)14-10-6-4-3-5-9(10)12-13-14/h3-6,8H,7H2,1-2H3

InChI Key

WCIWFJPWKVICOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01349706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

203.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.939

Distribution Coefficient, logD

1.939

Water Solubility, LogSw

-2.07

Polar Surface Area

38.741

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

Y032-1122 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y032-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-1122?
Check Price and Availability of Y032-1122, 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 Y032-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-1122
  • 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 Y032-1122 available by request