5594-2823 Screening compound: 3-[(6-ethoxy-4-methylquinazolin-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione

5594-2823 Screening compound: 3-[(6-ethoxy-4-methylquinazolin-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione
5594-2823 Screening compound: 3-[(6-ethoxy-4-methylquinazolin-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-2823
3-[(6-ethoxy-4-methylquinazolin-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione

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

5594-2823

Molecular Formula

C21H19N3O3S (C21 H19 N3 O3 S)

Compound Name

3-[(6-ethoxy-4-methylquinazolin-2-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione

IUPAC name

3-[(6-ethoxy-4-methylquinazolin-2-yl)sulfanyl]-1-phenylpyrrolidine-25-dione

SMILES

CCOc(cc1c(C)n2)ccc1nc2SC(CC(N1c2ccccc2)=O)C1=O

InChI

InChI=1S/C21H19N3O3S/c1-3-27-15-9-10-17-16(11-15)13(2)22-21(23-17)28-18-12-19(25)24(20(18)26)14-7-5-4-6-8-14/h4-11,18H,3,12H2,1-2H3/t18-/m0/s1

InChI Key

OKADDTKTLKXYID-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03010171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.455

Distribution Coefficient, logD

3.455

Water Solubility, LogSw

-3.70

Polar Surface Area

53.866

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

5594-2823 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5594-2823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-2823?
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What is the minimum amount of 5594-2823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-2823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-2823
  • 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 5594-2823 available by request