8013-0962 Screening compound: 6-amino-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione

8013-0962 Screening compound: 6-amino-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
8013-0962 Screening compound: 6-amino-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0962
6-amino-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-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

8013-0962

Molecular Formula

C8H10N4O2 (C8 H10 N4 O2)

Compound Name

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

IUPAC name

6-amino-13-dimethyl-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

CN(c(c(C(N1C)=O)c2)cn2N)C1=O

InChI

InChI=1S/C8H10N4O2/c1-10-6-4-12(9)3-5(6)7(13)11(2)8(10)14/h3-4H,9H2,1-2H3

InChI Key

DYGPURIFSWAVNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02716742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

194.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.449

Distribution Coefficient, logD

-0.449

Water Solubility, LogSw

-0.71

Polar Surface Area

52.130

Acid Dissociation Constant (pKa)

20.13

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8013-0962 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-0962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0962?
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What is the minimum amount of 8013-0962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0962
  • 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 8013-0962 available by request