2545-0671 Screening compound: 5-[(2-methoxyphenyl)methyl]-3-(3-nitrophenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

2545-0671 Screening compound: 5-[(2-methoxyphenyl)methyl]-3-(3-nitrophenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
2545-0671 Screening compound: 5-[(2-methoxyphenyl)methyl]-3-(3-nitrophenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2545-0671
5-[(2-methoxyphenyl)methyl]-3-(3-nitrophenyl)-2-phenyl-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

2545-0671

Molecular Formula

C25H21N3O6 (C25 H21 N3 O6)

Compound Name

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

IUPAC name

5-[(2-methoxyphenyl)methyl]-3-(3-nitrophenyl)-2-phenyl-hexahydro-2H-pyrrolo[34-d][12]oxazole-46-dione

SMILES

COc1c(CN(C(C2C(c3cccc([N+]([O-])=O)c3)N(c3ccccc3)OC22)=O)C2=O)cccc1

InChI

InChI=1S/C25H21N3O6/c1-33-20-13-6-5-8-17(20)15-26-24(29)21-22(16-9-7-12-19(14-16)28(31)32)27(34-23(21)25(26)30)18-10-3-2-4-11-18/h2-14,21-23H,15H2,1H3

InChI Key

YWRFQDTYTLSFRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.447

Distribution Coefficient, logD

3.447

Water Solubility, LogSw

-3.81

Polar Surface Area

85.257

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

20.00

2545-0671 in Drug Discovery

Included in Screening Libraries

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2545-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2545-0671?
Check Price and Availability of 2545-0671, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2545-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2545-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2545-0671
  • 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 2545-0671 available by request