Y040-8708 Screening compound: methyl 4,5-dimethoxy-2-[3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanamido]benzoate

Y040-8708 Screening compound: methyl 4,5-dimethoxy-2-[3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanamido]benzoate
Y040-8708 Screening compound: methyl 4,5-dimethoxy-2-[3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8708
methyl 4,5-dimethoxy-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

Y040-8708

Molecular Formula

C20H20N4O6 (C20 H20 N4 O6)

Compound Name

methyl 4,5-dimethoxy-2-[3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanamido]benzoate

IUPAC name

methyl 45-dimethoxy-2-[3-(4-oxo-34-dihydro-123-benzotriazin-3-yl)propanamido]benzoate

SMILES

COC(c(cc(c(OC)c1)OC)c1NC(CCN1N=Nc(cccc2)c2C1=O)=O)=O

InChI

InChI=1S/C20H20N4O6/c1-28-16-10-13(20(27)30-3)15(11-17(16)29-2)21-18(25)8-9-24-19(26)12-6-4-5-7-14(12)22-23-24/h4-7,10-11H,8-9H2,1-3H3,(H,21,25)

InChI Key

QMKOVISGQGGPEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06773860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.820

Distribution Coefficient, logD

1.432

Water Solubility, LogSw

-2.62

Polar Surface Area

99.797

Acid Dissociation Constant (pKa)

7.24

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with Y040-8708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8708?
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What is the minimum amount of Y040-8708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8708
  • 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 Y040-8708 available by request