8019-1159 Screening compound: 6-[(2-chlorophenyl)methyl]-1-(2,3-dimethylphenyl)-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-one

8019-1159 Screening compound: 6-[(2-chlorophenyl)methyl]-1-(2,3-dimethylphenyl)-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-one
8019-1159 Screening compound: 6-[(2-chlorophenyl)methyl]-1-(2,3-dimethylphenyl)-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1159
6-[(2-chlorophenyl)methyl]-1-(2,3-dimethylphenyl)-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-one

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

8019-1159

Molecular Formula

C21H21ClN4OS (C21 H21 ClN4 OS)

Compound Name

6-[(2-chlorophenyl)methyl]-1-(2,3-dimethylphenyl)-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-one

IUPAC name

6-[(2-chlorophenyl)methyl]-1-(23-dimethylphenyl)-2-sulfanylidene-1H2H3H4H5H6H7H8H-[13]diazino[45-d]pyrimidin-4-one

SMILES

Cc1cccc(N(C(NCN(Cc(cccc2)c2Cl)C2)=C2C(N2)=O)C2=S)c1C

InChI

InChI=1S/C21H21ClN4OS/c1-13-6-5-9-18(14(13)2)26-19-16(20(27)24-21(26)28)11-25(12-23-19)10-15-7-3-4-8-17(15)22/h3-9,23H,10-12H2,1-2H3,(H,24,27,28)

InChI Key

SOHBRXNOPBGWFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06757899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.110

Distribution Coefficient, logD

4.106

Water Solubility, LogSw

-4.29

Polar Surface Area

40.008

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 8019-1159 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 8019-1159
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Delivery formats for 8019-1159
  • 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 8019-1159 available by request