4802-0026 Screening compound: (2H-1,3-benzodioxol-5-yl)methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

4802-0026 Screening compound: (2H-1,3-benzodioxol-5-yl)methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
4802-0026 Screening compound: (2H-1,3-benzodioxol-5-yl)methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4802-0026
(2H-1,3-benzodioxol-5-yl)methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

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

4802-0026

Molecular Formula

C19H13Cl2NO5 (C19 H13 Cl2 NO5)

Compound Name

(2H-1,3-benzodioxol-5-yl)methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

IUPAC name

(2H-13-benzodioxol-5-yl)methyl 3-(26-dichlorophenyl)-5-methyl-12-oxazole-4-carboxylate

SMILES

Cc1c(C(OCc(cc2)cc3c2OCO3)=O)c(-c(c(Cl)ccc2)c2Cl)no1

InChI

InChI=1S/C19H13Cl2NO5/c1-10-16(18(22-27-10)17-12(20)3-2-4-13(17)21)19(23)24-8-11-5-6-14-15(7-11)26-9-25-14/h2-7H,8-9H2,1H3

InChI Key

OPRNBMJHKZRTLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03145791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.341

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-4.77

Polar Surface Area

60.172

Acid Dissociation Constant (pKa)

26.73

Base Dissociation Constant (pKb)

-5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

4802-0026 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4802-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4802-0026?
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What is the minimum amount of 4802-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4802-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4802-0026
  • 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 4802-0026 available by request