Y020-8495 Screening compound: ethyl 4-(2-{5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetamido)benzoate

Y020-8495 Screening compound: ethyl 4-(2-{5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetamido)benzoate
Y020-8495 Screening compound: ethyl 4-(2-{5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-8495
ethyl 4-(2-{5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetamido)benzoate

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

Y020-8495

Molecular Formula

C16H17N5O4 (C16 H17 N5 O4)

Compound Name

ethyl 4-(2-{5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{5-oxo-4H5H6H7H-[124]triazolo[15-a]pyrimidin-6-yl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CC(Cn1ncnc1N1)C1=O)=O)=O

InChI

InChI=1S/C16H17N5O4/c1-2-25-15(24)10-3-5-12(6-4-10)19-13(22)7-11-8-21-16(17-9-18-21)20-14(11)23/h3-6,9,11H,2,7-8H2,1H3,(H,19,22)(H,17,18,20,23)/t11-/m0/s1

InChI Key

YMFLPHARSADMSO-NSHDSACASA-N

MDL Number (MFCD)

MFCD15195484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.958

Distribution Coefficient, logD

0.955

Water Solubility, LogSw

-2.06

Polar Surface Area

96.217

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

Y020-8495 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with Y020-8495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-8495?
Check Price and Availability of Y020-8495, 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 Y020-8495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-8495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-8495
  • 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 Y020-8495 available by request