5537-0036 Screening compound: 6-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

5537-0036 Screening compound: 6-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
5537-0036 Screening compound: 6-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5537-0036
6-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)-1,3-dimethyl-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

5537-0036

Molecular Formula

C22H20ClN3O3 (C22 H20 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(c1cn(Cc(cc2)ccc2Cl)c(-c(cc2)ccc2OC)c1C(N1C)=O)C1=O

InChI

InChI=1S/C22H20ClN3O3/c1-24-18-13-26(12-14-4-8-16(23)9-5-14)20(15-6-10-17(29-3)11-7-15)19(18)21(27)25(2)22(24)28/h4-11,13H,12H2,1-3H3

InChI Key

PGFRDUGTENWVIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03666772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.010

Distribution Coefficient, logD

4.010

Water Solubility, LogSw

-4.87

Polar Surface Area

39.872

Acid Dissociation Constant (pKa)

26.15

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 5537-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5537-0036?
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What is the minimum amount of 5537-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5537-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5537-0036
  • 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 5537-0036 available by request