Y501-4963 Screening compound: ethyl 4-(1-ethyl-1H-pyrazol-4-yl)-6-({[3-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}methyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

Y501-4963 Screening compound: ethyl 4-(1-ethyl-1H-pyrazol-4-yl)-6-({[3-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}methyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Y501-4963 Screening compound: ethyl 4-(1-ethyl-1H-pyrazol-4-yl)-6-({[3-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}methyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-4963
ethyl 4-(1-ethyl-1H-pyrazol-4-yl)-6-({[3-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}methyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

Y501-4963

Molecular Formula

C24H26N6O6S (C24 H26 N6 O6 S)

Compound Name

ethyl 4-(1-ethyl-1H-pyrazol-4-yl)-6-({[3-(2-methoxy-2-oxoethyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}methyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

ethyl 4-(1-ethyl-1H-pyrazol-4-yl)-6-({[3-(2-methoxy-2-oxoethyl)-4-oxo-34-dihydroquinazolin-2-yl]sulfanyl}methyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCn1ncc(C(C(C(OCC)=O)=C(CSC(N2CC(OC)=O)=Nc(cccc3)c3C2=O)N2)NC2=O)c1

InChI

InChI=1S/C24H26N6O6S/c1-4-29-11-14(10-25-29)20-19(22(33)36-5-2)17(26-23(34)28-20)13-37-24-27-16-9-7-6-8-15(16)21(32)30(24)12-18(31)35-3/h6-11,20H,4-5,12-13H2,1-3H3,(H2,26,28,34)/t20-/m1/s1

InChI Key

XDLAIKNWNQZUND-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.57

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.907

Distribution Coefficient, logD

0.791

Water Solubility, LogSw

-2.41

Polar Surface Area

117.937

Acid Dissociation Constant (pKa)

7.91

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

Y501-4963 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 Y501-4963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-4963?
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What is the minimum amount of Y501-4963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-4963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-4963
  • 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 Y501-4963 available by request