Y040-8705 Screening compound: ethyl 4-[3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanoyl]piperazine-1-carboxylate

Y040-8705 Screening compound: ethyl 4-[3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanoyl]piperazine-1-carboxylate
Y040-8705 Screening compound: ethyl 4-[3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanoyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8705
ethyl 4-[3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanoyl]piperazine-1-carboxylate

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

Y040-8705

Molecular Formula

C17H21N5O4 (C17 H21 N5 O4)

Compound Name

ethyl 4-[3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanoyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[3-(4-oxo-34-dihydro-123-benzotriazin-3-yl)propanoyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(CCN1N=Nc(cccc2)c2C1=O)=O)=O

InChI

InChI=1S/C17H21N5O4/c1-2-26-17(25)21-11-9-20(10-12-21)15(23)7-8-22-16(24)13-5-3-4-6-14(13)18-19-22/h3-6H,2,7-12H2,1H3

InChI Key

YMVXUANYBGVZME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02935636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.104

Distribution Coefficient, logD

1.104

Water Solubility, LogSw

-2.22

Polar Surface Area

80.084

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

Y040-8705 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-8705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8705?
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What is the minimum amount of Y040-8705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8705
  • 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 Y040-8705 available by request