4593-5239 Screening compound: ethyl 4,5-dimethyl-2-[3-(3-nitrophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate

4593-5239 Screening compound: ethyl 4,5-dimethyl-2-[3-(3-nitrophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
4593-5239 Screening compound: ethyl 4,5-dimethyl-2-[3-(3-nitrophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-5239
ethyl 4,5-dimethyl-2-[3-(3-nitrophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-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

4593-5239

Molecular Formula

C26H23N3O7S (C26 H23 N3 O7 S)

Compound Name

ethyl 4,5-dimethyl-2-[3-(3-nitrophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate

IUPAC name

ethyl 45-dimethyl-2-[3-(3-nitrophenyl)-46-dioxo-2-phenyl-hexahydro-2H-pyrrolo[34-d][12]oxazol-5-yl]thiophene-3-carboxylate

SMILES

CCOC(c1c(N(C(C2C(c3cc([N+]([O-])=O)ccc3)N(c3ccccc3)OC22)=O)C2=O)sc(C)c1C)=O

InChI

InChI=1S/C26H23N3O7S/c1-4-35-26(32)19-14(2)15(3)37-25(19)27-23(30)20-21(16-9-8-12-18(13-16)29(33)34)28(36-22(20)24(27)31)17-10-6-5-7-11-17/h5-13,20-22H,4H2,1-3H3

InChI Key

ULOLGBZDOHNAAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02970749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.990

Distribution Coefficient, logD

3.990

Water Solubility, LogSw

-4.30

Polar Surface Area

98.838

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

-4.28

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with 4593-5239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-5239?
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What is the minimum amount of 4593-5239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-5239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-5239
  • 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 4593-5239 available by request