Y042-2765 Screening compound: 2-({4-[(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl}formamido)-3-phenylpropanoic acid

Y042-2765 Screening compound: 2-({4-[(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl}formamido)-3-phenylpropanoic acid
Y042-2765 Screening compound: 2-({4-[(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl}formamido)-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-2765
2-({4-[(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl}formamido)-3-phenylpropanoic 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

Y042-2765

Molecular Formula

C24H26N4O4 (C24 H26 N4 O4)

Compound Name

2-({4-[(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl}formamido)-3-phenylpropanoic acid

IUPAC name

(2S)-3-phenyl-2-{[(1r4r)-4-[(4-oxo-34-dihydro-123-benzotriazin-3-yl)methyl]cyclohexyl]formamido}propanoic acid

SMILES

OC(C(Cc1ccccc1)NC([C@H]1CC[C@H](CN2N=Nc(cccc3)c3C2=O)CC1)=O)=O

InChI

InChI=1S/C24H26N4O4/c29-22(25-21(24(31)32)14-16-6-2-1-3-7-16)18-12-10-17(11-13-18)15-28-23(30)19-8-4-5-9-20(19)26-27-28/h1-9,17-18,21H,10-15H2,(H,25,29)(H,31,32)/t17?,18?,21-/m0/s1

InChI Key

BXOSLHOJVFPWDV-NGICGMGXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.448

Distribution Coefficient, logD

-1.143

Water Solubility, LogSw

-2.96

Polar Surface Area

93.577

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

Y042-2765 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y042-2765 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-2765?
Check Price and Availability of Y042-2765, 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 Y042-2765 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-2765
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-2765
  • 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 Y042-2765 available by request