Y503-4587 Screening compound: methyl 5-[({3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)methyl]-2-furoate

Y503-4587 Screening compound: methyl 5-[({3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)methyl]-2-furoate
Y503-4587 Screening compound: methyl 5-[({3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)methyl]-2-furoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-4587
methyl 5-[({3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)methyl]-2-furoate

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

Y503-4587

Molecular Formula

C22H21ClN4O4S (C22 H21 ClN4 O4 S)

Compound Name

methyl 5-[({3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)methyl]-2-furoate

IUPAC name

methyl 5-[({3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-4-oxo-34-dihydroquinazolin-2-yl}sulfanyl)methyl]furan-2-carboxylate

SMILES

Cc1nn(CCCN2C(SCc3ccc(C(OC)=O)o3)=Nc(cccc3)c3C2=O)cc1Cl

InChI

InChI=1S/C22H21ClN4O4S/c1-14-17(23)12-26(25-14)10-5-11-27-20(28)16-6-3-4-7-18(16)24-22(27)32-13-15-8-9-19(31-15)21(29)30-2/h3-4,6-9,12H,5,10-11,13H2,1-2H3

InChI Key

SWUFZYDETLYSJR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.431

Distribution Coefficient, logD

3.431

Water Solubility, LogSw

-3.78

Polar Surface Area

69.873

Acid Dissociation Constant (pKa)

27.18

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

Y503-4587 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y503-4587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-4587?
Check Price and Availability of Y503-4587, 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 Y503-4587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-4587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-4587
  • 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 Y503-4587 available by request