Y040-8715 Screening compound: methyl 2-[3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanamido]benzoate

Y040-8715 Screening compound: methyl 2-[3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanamido]benzoate
Y040-8715 Screening compound: methyl 2-[3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8715
methyl 2-[3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanamido]benzoate

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

Y040-8715

Molecular Formula

C18H16N4O4 (C18 H16 N4 O4)

Compound Name

methyl 2-[3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanamido]benzoate

IUPAC name

methyl 2-[3-(4-oxo-34-dihydro-123-benzotriazin-3-yl)propanamido]benzoate

SMILES

COC(c(cccc1)c1NC(CCN1N=Nc(cccc2)c2C1=O)=O)=O

InChI

InChI=1S/C18H16N4O4/c1-26-18(25)13-7-3-4-8-14(13)19-16(23)10-11-22-17(24)12-6-2-5-9-15(12)20-21-22/h2-9H,10-11H2,1H3,(H,19,23)

InChI Key

PLGXZEJWLQLBDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06779273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.144

Distribution Coefficient, logD

2.114

Water Solubility, LogSw

-2.96

Polar Surface Area

84.536

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with Y040-8715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8715?
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What is the minimum amount of Y040-8715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8715
  • 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 Y040-8715 available by request