Y041-5024 Screening compound: methyl 4-methyl-2-[4-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamido]pentanoate

Y041-5024 Screening compound: methyl 4-methyl-2-[4-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamido]pentanoate
Y041-5024 Screening compound: methyl 4-methyl-2-[4-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamido]pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5024
methyl 4-methyl-2-[4-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamido]pentanoate

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

Y041-5024

Molecular Formula

C18H24N4O4 (C18 H24 N4 O4)

Compound Name

methyl 4-methyl-2-[4-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamido]pentanoate

IUPAC name

methyl (2S)-4-methyl-2-[4-(4-oxo-34-dihydro-123-benzotriazin-3-yl)butanamido]pentanoate

SMILES

CC(C)CC(C(OC)=O)NC(CCCN1N=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C18H24N4O4/c1-12(2)11-15(18(25)26-3)19-16(23)9-6-10-22-17(24)13-7-4-5-8-14(13)20-21-22/h4-5,7-8,12,15H,6,9-11H2,1-3H3,(H,19,23)/t15-/m0/s1

InChI Key

ZKEJMKASHLBGSY-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.656

Distribution Coefficient, logD

1.656

Water Solubility, LogSw

-2.40

Polar Surface Area

86.458

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

Y041-5024 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y041-5024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5024?
Check Price and Availability of Y041-5024, 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 Y041-5024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5024
  • 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 Y041-5024 available by request