Y502-1771 Screening compound: 2-[3-(3,5-dimethyl-4-isoxazolyl)-1-adamantyl]-N-[4-oxo-2-sulfanyl-3(4H)-quinazolinyl]acetamide

Y502-1771 Screening compound: 2-[3-(3,5-dimethyl-4-isoxazolyl)-1-adamantyl]-N-[4-oxo-2-sulfanyl-3(4H)-quinazolinyl]acetamide
Y502-1771 Screening compound: 2-[3-(3,5-dimethyl-4-isoxazolyl)-1-adamantyl]-N-[4-oxo-2-sulfanyl-3(4H)-quinazolinyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-1771
2-[3-(3,5-dimethyl-4-isoxazolyl)-1-adamantyl]-N-[4-oxo-2-sulfanyl-3(4H)-quinazolinyl]acetamide

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

Y502-1771

Molecular Formula

C25H28N4O3S (C25 H28 N4 O3 S)

Compound Name

2-[3-(3,5-dimethyl-4-isoxazolyl)-1-adamantyl]-N-[4-oxo-2-sulfanyl-3(4H)-quinazolinyl]acetamide

IUPAC name

2-[3-(35-dimethyl-12-oxazol-4-yl)adamantan-1-yl]-N-(4-oxo-2-sulfanyl-34-dihydroquinazolin-3-yl)acetamide

SMILES

Cc1noc(C)c1C1(CC(C2)C3)CC3(CC(NN3C(S)=Nc(cccc4)c4C3=O)=O)CC2C1

InChI

InChI=1S/C25H28N4O3S/c1-14-21(15(2)32-28-14)25-10-16-7-17(11-25)9-24(8-16,13-25)12-20(30)27-29-22(31)18-5-3-4-6-19(18)26-23(29)33/h3-6,16-17H,7-13H2,1-2H3,(H,26,33)(H,27,30)

InChI Key

YYEFMJPCPXJRMP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

-2.454

Water Solubility, LogSw

-4.02

Polar Surface Area

73.537

Acid Dissociation Constant (pKa)

1.57

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

Y502-1771 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y502-1771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-1771?
Check Price and Availability of Y502-1771, 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 Y502-1771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-1771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-1771
  • 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 Y502-1771 available by request