4593-5619 Screening compound: 2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-5-(4-nitrophenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

4593-5619 Screening compound: 2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-5-(4-nitrophenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
4593-5619 Screening compound: 2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-5-(4-nitrophenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-5619
2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-5-(4-nitrophenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-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

4593-5619

Molecular Formula

C25H21ClN4O5 (C25 H21 ClN4 O5)

Compound Name

2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-5-(4-nitrophenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

IUPAC name

2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-5-(4-nitrophenyl)-hexahydro-2H-pyrrolo[34-d][12]oxazole-46-dione

SMILES

CN(C)c1ccc(C(C2C(N3c(cc4)ccc4[N+]([O-])=O)=O)N(c(cc4)ccc4Cl)OC2C3=O)cc1

InChI

InChI=1S/C25H21ClN4O5/c1-27(2)17-7-3-15(4-8-17)22-21-23(35-29(22)19-9-5-16(26)6-10-19)25(32)28(24(21)31)18-11-13-20(14-12-18)30(33)34/h3-14,21-23H,1-2H3

InChI Key

SCPFZMLSOGXVIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02971125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.936

Distribution Coefficient, logD

3.932

Water Solubility, LogSw

-4.73

Polar Surface Area

79.820

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

20.00

4593-5619 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4593-5619 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-5619?
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What is the minimum amount of 4593-5619 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-5619
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-5619
  • 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 4593-5619 available by request