Y040-2943 Screening compound: 3-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-3,4-dihydro-1,2,3-benzotriazin-4-one

Y040-2943 Screening compound: 3-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-3,4-dihydro-1,2,3-benzotriazin-4-one
Y040-2943 Screening compound: 3-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-3,4-dihydro-1,2,3-benzotriazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2943
3-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-3,4-dihydro-1,2,3-benzotriazin-4-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

Y040-2943

Molecular Formula

C16H21N5O2 (C16 H21 N5 O2)

Compound Name

3-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-3,4-dihydro-1,2,3-benzotriazin-4-one

IUPAC name

3-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-34-dihydro-123-benzotriazin-4-one

SMILES

CCC(C(N1CCN(C)CC1)=O)N1N=Nc(cccc2)c2C1=O

InChI

InChI=1S/C16H21N5O2/c1-3-14(16(23)20-10-8-19(2)9-11-20)21-15(22)12-6-4-5-7-13(12)17-18-21/h4-7,14H,3,8-11H2,1-2H3/t14-/m0/s1

InChI Key

GJULKZIQHVIFCO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD06776637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.827

Distribution Coefficient, logD

1.633

Water Solubility, LogSw

-2.45

Polar Surface Area

59.447

Acid Dissociation Constant (pKa)

17.83

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

Y040-2943 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-2943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2943?
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What is the minimum amount of Y040-2943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2943
  • 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 Y040-2943 available by request