Y040-2736 Screening compound: 3-methyl-2-[2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)acetamido]butanoic acid

Y040-2736 Screening compound: 3-methyl-2-[2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)acetamido]butanoic acid
Y040-2736 Screening compound: 3-methyl-2-[2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)acetamido]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2736
3-methyl-2-[2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)acetamido]butanoic 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

Y040-2736

Molecular Formula

C14H16N4O4 (C14 H16 N4 O4)

Compound Name

3-methyl-2-[2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)acetamido]butanoic acid

IUPAC name

(2S)-3-methyl-2-[2-(4-oxo-34-dihydro-123-benzotriazin-3-yl)acetamido]butanoic acid

SMILES

CC(C)C(C(O)=O)NC(CN1N=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C14H16N4O4/c1-8(2)12(14(21)22)15-11(19)7-18-13(20)9-5-3-4-6-10(9)16-17-18/h3-6,8,12H,7H2,1-2H3,(H,15,19)(H,21,22)/t12-/m0/s1

InChI Key

CDCYAYXDNLEFRA-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.250

Distribution Coefficient, logD

-3.879

Water Solubility, LogSw

-2.25

Polar Surface Area

93.436

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with Y040-2736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2736?
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What is the minimum amount of Y040-2736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2736
  • 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 Y040-2736 available by request