6055-0128 Screening compound: 1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-5-(4-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

6055-0128 Screening compound: 1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-5-(4-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
6055-0128 Screening compound: 1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-5-(4-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6055-0128
1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-5-(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

6055-0128

Molecular Formula

C22H21N5O4 (C22 H21 N5 O4)

Compound Name

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

IUPAC name

13-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-5-(4-methylphenyl)-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

Cc(cc1)ccc1-c(n(cc1N(C)C(N2C)=O)-c(cc(cc3)[N+]([O-])=O)c3NC)c1C2=O

InChI

InChI=1S/C22H21N5O4/c1-13-5-7-14(8-6-13)20-19-18(24(3)22(29)25(4)21(19)28)12-26(20)17-11-15(27(30)31)9-10-16(17)23-2/h5-12,23H,1-4H3

InChI Key

QGMQWKNUDGOVFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04017637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.701

Distribution Coefficient, logD

3.701

Water Solubility, LogSw

-4.06

Polar Surface Area

75.827

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 6055-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6055-0128?
Check Price and Availability of 6055-0128, 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 6055-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6055-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6055-0128
  • 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 6055-0128 available by request