Y042-4236 Screening compound: N-{2-[(1-methyl-3-phenylpropyl)amino]-2-oxoethyl}-2-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]acetamide

Y042-4236 Screening compound: N-{2-[(1-methyl-3-phenylpropyl)amino]-2-oxoethyl}-2-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]acetamide
Y042-4236 Screening compound: N-{2-[(1-methyl-3-phenylpropyl)amino]-2-oxoethyl}-2-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-4236
N-{2-[(1-methyl-3-phenylpropyl)amino]-2-oxoethyl}-2-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]acetamide

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

Y042-4236

Molecular Formula

C21H23N5O3 (C21 H23 N5 O3)

Compound Name

N-{2-[(1-methyl-3-phenylpropyl)amino]-2-oxoethyl}-2-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]acetamide

IUPAC name

2-[2-(4-oxo-34-dihydro-123-benzotriazin-3-yl)acetamido]-N-(4-phenylbutan-2-yl)acetamide

SMILES

CC(CCc1ccccc1)NC(CNC(CN1N=Nc(cccc2)c2C1=O)=O)=O

InChI

InChI=1S/C21H23N5O3/c1-15(11-12-16-7-3-2-4-8-16)23-19(27)13-22-20(28)14-26-21(29)17-9-5-6-10-18(17)24-25-26/h2-10,15H,11-14H2,1H3,(H,22,28)(H,23,27)/t15-/m0/s1

InChI Key

QMAXCURUSVNLBO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD13756487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.759

Distribution Coefficient, logD

2.759

Water Solubility, LogSw

-3.49

Polar Surface Area

89.317

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

4.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with Y042-4236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-4236?
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What is the minimum amount of Y042-4236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-4236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-4236
  • 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 Y042-4236 available by request