8602-0422 Screening compound: 6-benzyl-1-(2,3-dimethylphenyl)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

8602-0422 Screening compound: 6-benzyl-1-(2,3-dimethylphenyl)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
8602-0422 Screening compound: 6-benzyl-1-(2,3-dimethylphenyl)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8602-0422
6-benzyl-1-(2,3-dimethylphenyl)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-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

8602-0422

Molecular Formula

C21H22N4O2 (C21 H22 N4 O2)

Compound Name

6-benzyl-1-(2,3-dimethylphenyl)-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

IUPAC name

6-benzyl-1-(23-dimethylphenyl)-1H2H3H4H5H6H7H8H-[13]diazino[45-d]pyrimidine-24-dione

SMILES

Cc1cccc(N(C(NCN(Cc2ccccc2)C2)=C2C(N2)=O)C2=O)c1C

InChI

InChI=1S/C21H22N4O2/c1-14-7-6-10-18(15(14)2)25-19-17(20(26)23-21(25)27)12-24(13-22-19)11-16-8-4-3-5-9-16/h3-10,22H,11-13H2,1-2H3,(H,23,26,27)

InChI Key

VUADCVRAIUQZNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07638998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.044

Distribution Coefficient, logD

3.038

Water Solubility, LogSw

-3.19

Polar Surface Area

53.170

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 8602-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8602-0422?
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What is the minimum amount of 8602-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0422
  • 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 8602-0422 available by request