D487-0232 Screening compound: 2-(2,4-dichlorophenoxy)-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]acetamide

D487-0232 Screening compound: 2-(2,4-dichlorophenoxy)-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]acetamide
D487-0232 Screening compound: 2-(2,4-dichlorophenoxy)-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0232
2-(2,4-dichlorophenoxy)-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]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

D487-0232

Molecular Formula

C22H19Cl2N3O4S (C22 H19 Cl2 N3 O4 S)

Compound Name

2-(2,4-dichlorophenoxy)-N-[4-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]acetamide

IUPAC name

2-(24-dichlorophenoxy)-N-[4-(3-oxo-4-propyl-34-dihydro-2H-14-benzoxazin-6-yl)-13-thiazol-2-yl]acetamide

SMILES

CCCN1c(cc(cc2)-c3csc(NC(COc(ccc(Cl)c4)c4Cl)=O)n3)c2OCC1=O

InChI

InChI=1S/C22H19Cl2N3O4S/c1-2-7-27-17-8-13(3-5-19(17)31-11-21(27)29)16-12-32-22(25-16)26-20(28)10-30-18-6-4-14(23)9-15(18)24/h3-6,8-9,12H,2,7,10-11H2,1H3,(H,25,26,28)

InChI Key

WIEIUONNSDBVNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.177

Distribution Coefficient, logD

5.177

Water Solubility, LogSw

-5.66

Polar Surface Area

64.557

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D487-0232 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D487-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0232?
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What is the minimum amount of D487-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0232
  • 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 D487-0232 available by request