Y020-1861 Screening compound: 1-(2-{[3-(5-chloro-2-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetyl)piperidine-4-carboxamide

Y020-1861 Screening compound: 1-(2-{[3-(5-chloro-2-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetyl)piperidine-4-carboxamide
Y020-1861 Screening compound: 1-(2-{[3-(5-chloro-2-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-1861
1-(2-{[3-(5-chloro-2-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetyl)piperidine-4-carboxamide

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

Y020-1861

Molecular Formula

C23H23ClN4O4S (C23 H23 ClN4 O4 S)

Compound Name

1-(2-{[3-(5-chloro-2-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetyl)piperidine-4-carboxamide

IUPAC name

1-(2-{[3-(5-chloro-2-methoxyphenyl)-4-oxo-34-dihydroquinazolin-2-yl]sulfanyl}acetyl)piperidine-4-carboxamide

SMILES

COc(ccc(Cl)c1)c1N1C(SCC(N(CC2)CCC2C(N)=O)=O)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C23H23ClN4O4S/c1-32-19-7-6-15(24)12-18(19)28-22(31)16-4-2-3-5-17(16)26-23(28)33-13-20(29)27-10-8-14(9-11-27)21(25)30/h2-7,12,14H,8-11,13H2,1H3,(H2,25,30)

InChI Key

YHLRRUUKSXDYIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07181616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.678

Distribution Coefficient, logD

1.676

Water Solubility, LogSw

-2.84

Polar Surface Area

82.940

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

Y020-1861 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y020-1861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-1861?
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What is the minimum amount of Y020-1861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-1861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-1861
  • 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 Y020-1861 available by request