Y040-8592 Screening compound: 2-[3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanamido]hexanoic acid

Y040-8592 Screening compound: 2-[3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanamido]hexanoic acid
Y040-8592 Screening compound: 2-[3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanamido]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8592
2-[3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanamido]hexanoic acid

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

Y040-8592

Molecular Formula

C16H20N4O4 (C16 H20 N4 O4)

Compound Name

2-[3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanamido]hexanoic acid

IUPAC name

2-[3-(4-oxo-34-dihydro-123-benzotriazin-3-yl)propanamido]hexanoic acid

SMILES

CCCCC(C(O)=O)NC(CCN1N=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C16H20N4O4/c1-2-3-7-13(16(23)24)17-14(21)9-10-20-15(22)11-6-4-5-8-12(11)18-19-20/h4-6,8,13H,2-3,7,9-10H2,1H3,(H,17,21)(H,23,24)/t13-/m0/s1

InChI Key

IMYWMMZWMYBCQI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD10040880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.223

Distribution Coefficient, logD

-2.395

Water Solubility, LogSw

-2.34

Polar Surface Area

93.693

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with Y040-8592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8592?
Check Price and Availability of Y040-8592, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y040-8592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8592
  • 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 Y040-8592 available by request