D077-0036 Screening compound: 6-(5-amino-2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D077-0036 Screening compound: 6-(5-amino-2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D077-0036 Screening compound: 6-(5-amino-2,4-dichlorophenyl)-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 D077-0036
6-(5-amino-2,4-dichlorophenyl)-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

D077-0036

Molecular Formula

C21H18Cl2N4O3 (C21 H18 Cl2 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(c(c(C(N1C)=O)c2-c(cc3)ccc3OC)cn2-c(cc(c(Cl)c2)N)c2Cl)C1=O

InChI

InChI=1S/C21H18Cl2N4O3/c1-25-17-10-27(16-9-15(24)13(22)8-14(16)23)19(11-4-6-12(30-3)7-5-11)18(17)20(28)26(2)21(25)29/h4-10H,24H2,1-3H3

InChI Key

MFFSFFYBUBOCBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09698716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.244

Distribution Coefficient, logD

4.244

Water Solubility, LogSw

-4.98

Polar Surface Area

60.126

Acid Dissociation Constant (pKa)

19.80

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with D077-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D077-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D077-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D077-0036
  • 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 D077-0036 available by request