3551-0529 Screening compound: 3-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-2-(2-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

3551-0529 Screening compound: 3-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-2-(2-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
3551-0529 Screening compound: 3-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-2-(2-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3551-0529
3-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-2-(2-methylphenyl)-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

3551-0529

Molecular Formula

C27H27N3O4 (C27 H27 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1N(C(C1C(N2c(cc3)ccc3OC)=O)c(cc3)ccc3N(C)C)OC1C2=O

InChI

InChI=1S/C27H27N3O4/c1-17-7-5-6-8-22(17)30-24(18-9-11-19(12-10-18)28(2)3)23-25(34-30)27(32)29(26(23)31)20-13-15-21(33-4)16-14-20/h5-16,23-25H,1-4H3

InChI Key

IORQHUCVSKRCCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01184006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.757

Distribution Coefficient, logD

3.753

Water Solubility, LogSw

-4.22

Polar Surface Area

53.681

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

25.90

3551-0529 in Drug Discovery

Included in Screening Libraries

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 3551-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3551-0529?
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What is the minimum amount of 3551-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3551-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3551-0529
  • 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 3551-0529 available by request