D077-0358 Screening compound: 1,3-dimethyl-6-(2-methylphenyl)-5-(3-nitrophenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D077-0358 Screening compound: 1,3-dimethyl-6-(2-methylphenyl)-5-(3-nitrophenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D077-0358 Screening compound: 1,3-dimethyl-6-(2-methylphenyl)-5-(3-nitrophenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D077-0358
1,3-dimethyl-6-(2-methylphenyl)-5-(3-nitrophenyl)-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

D077-0358

Molecular Formula

C21H18N4O4 (C21 H18 N4 O4)

Compound Name

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

IUPAC name

13-dimethyl-6-(2-methylphenyl)-5-(3-nitrophenyl)-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

Cc(cccc1)c1-n(cc1N(C)C(N2C)=O)c(-c3cccc([N+]([O-])=O)c3)c1C2=O

InChI

InChI=1S/C21H18N4O4/c1-13-7-4-5-10-16(13)24-12-17-18(20(26)23(3)21(27)22(17)2)19(24)14-8-6-9-15(11-14)25(28)29/h4-12H,1-3H3

InChI Key

PLJVPMMKUOTQLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09698900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.921

Distribution Coefficient, logD

3.921

Water Solubility, LogSw

-4.11

Polar Surface Area

65.868

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with D077-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D077-0358?
Check Price and Availability of D077-0358, 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 D077-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D077-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D077-0358
  • 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 D077-0358 available by request