5537-0038 Screening compound: 5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

5537-0038 Screening compound: 5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
5537-0038 Screening compound: 5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5537-0038
5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-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

5537-0038

Molecular Formula

C22H21N3O3 (C22 H21 N3 O3)

Compound Name

5-(4-methoxyphenyl)-1,3-dimethyl-6-(4-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

IUPAC name

5-(4-methoxyphenyl)-13-dimethyl-6-(4-methylphenyl)-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

Cc(cc1)ccc1-n(cc1N(C)C(N2C)=O)c(-c(cc3)ccc3OC)c1C2=O

InChI

InChI=1S/C22H21N3O3/c1-14-5-9-16(10-6-14)25-13-18-19(21(26)24(3)22(27)23(18)2)20(25)15-7-11-17(28-4)12-8-15/h5-13H,1-4H3

InChI Key

RHYJFOUCPKHGGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.935

Distribution Coefficient, logD

3.935

Water Solubility, LogSw

-4.23

Polar Surface Area

40.331

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

5537-0038 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5537-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5537-0038?
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What is the minimum amount of 5537-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5537-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5537-0038
  • 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 5537-0038 available by request