Y040-2954 Screening compound: 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamide

Y040-2954 Screening compound: 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamide
Y040-2954 Screening compound: 3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2954
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamide

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

Y040-2954

Molecular Formula

C16H17N5O2S (C16 H17 N5 O2 S)

Compound Name

3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamide

IUPAC name

(2S)-3-methyl-N-(5-methyl-13-thiazol-2-yl)-2-(4-oxo-34-dihydro-123-benzotriazin-3-yl)butanamide

SMILES

CC(C)C(C(Nc1ncc(C)s1)=O)N1N=Nc(cccc2)c2C1=O

InChI

InChI=1S/C16H17N5O2S/c1-9(2)13(14(22)18-16-17-8-10(3)24-16)21-15(23)11-6-4-5-7-12(11)19-20-21/h4-9,13H,1-3H3,(H,17,18,22)/t13-/m0/s1

InChI Key

JBIYYRJDJAJZBQ-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.41

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

4.258

Distribution Coefficient, logD

4.245

Water Solubility, LogSw

-4.22

Polar Surface Area

73.017

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

Y040-2954 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y040-2954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2954?
Check Price and Availability of Y040-2954, 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 Y040-2954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2954
  • 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 Y040-2954 available by request