8019-1763 Screening compound: 1-(4-chlorophenyl)-6-[2-(2-methoxyphenyl)ethyl]-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

8019-1763 Screening compound: 1-(4-chlorophenyl)-6-[2-(2-methoxyphenyl)ethyl]-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
8019-1763 Screening compound: 1-(4-chlorophenyl)-6-[2-(2-methoxyphenyl)ethyl]-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 8019-1763
1-(4-chlorophenyl)-6-[2-(2-methoxyphenyl)ethyl]-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

8019-1763

Molecular Formula

C21H21ClN4O3 (C21 H21 ClN4 O3)

Compound Name

1-(4-chlorophenyl)-6-[2-(2-methoxyphenyl)ethyl]-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

IUPAC name

1-(4-chlorophenyl)-6-[2-(2-methoxyphenyl)ethyl]-1H2H3H4H5H6H7H8H-[13]diazino[45-d]pyrimidine-24-dione

SMILES

COc1c(CCN(C2)CNC(N(c(cc3)ccc3Cl)C(N3)=O)=C2C3=O)cccc1

InChI

InChI=1S/C21H21ClN4O3/c1-29-18-5-3-2-4-14(18)10-11-25-12-17-19(23-13-25)26(21(28)24-20(17)27)16-8-6-15(22)7-9-16/h2-9,23H,10-13H2,1H3,(H,24,27,28)

InChI Key

DFSVBZOSLZGGRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.926

Distribution Coefficient, logD

2.863

Water Solubility, LogSw

-3.50

Polar Surface Area

61.080

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 8019-1763 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1763
ChemDiv sends parcels with Express services (UPS, WC).
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Delivery formats for 8019-1763
  • 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 8019-1763 available by request