C582-0860 Screening compound: 2,4-diethyl 3-methyl-5-(5-methyl-4-nitro-1,2-oxazole-3-amido)thiophene-2,4-dicarboxylate

C582-0860 Screening compound: 2,4-diethyl 3-methyl-5-(5-methyl-4-nitro-1,2-oxazole-3-amido)thiophene-2,4-dicarboxylate
C582-0860 Screening compound: 2,4-diethyl 3-methyl-5-(5-methyl-4-nitro-1,2-oxazole-3-amido)thiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C582-0860
2,4-diethyl 3-methyl-5-(5-methyl-4-nitro-1,2-oxazole-3-amido)thiophene-2,4-dicarboxylate

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

C582-0860

Molecular Formula

C16H17N3O8S (C16 H17 N3 O8 S)

Compound Name

2,4-diethyl 3-methyl-5-(5-methyl-4-nitro-1,2-oxazole-3-amido)thiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 3-methyl-5-(5-methyl-4-nitro-12-oxazole-3-amido)thiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(c2noc(C)c2[N+]([O-])=O)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C16H17N3O8S/c1-5-25-15(21)9-7(3)12(16(22)26-6-2)28-14(9)17-13(20)10-11(19(23)24)8(4)27-18-10/h5-6H2,1-4H3,(H,17,20)

InChI Key

YABKIJVHMYEBPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.39

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.677

Distribution Coefficient, logD

-2.285

Water Solubility, LogSw

-2.93

Polar Surface Area

119.643

Acid Dissociation Constant (pKa)

2.44

Base Dissociation Constant (pKb)

-11.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C582-0860 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C582-0860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C582-0860?
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What is the minimum amount of C582-0860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C582-0860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C582-0860
  • 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 C582-0860 available by request