8018-9048 Screening compound: 1-benzyl-6-(2-phenylethyl)-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-one

8018-9048 Screening compound: 1-benzyl-6-(2-phenylethyl)-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-one
8018-9048 Screening compound: 1-benzyl-6-(2-phenylethyl)-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 8018-9048
1-benzyl-6-(2-phenylethyl)-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

8018-9048

Molecular Formula

C21H22N4OS (C21 H22 N4 OS)

Compound Name

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

IUPAC name

1-benzyl-6-(2-phenylethyl)-2-sulfanylidene-1H2H3H4H5H6H7H8H-[13]diazino[45-d]pyrimidin-4-one

SMILES

O=C(C(CN(CCc1ccccc1)CN1)=C1N1Cc2ccccc2)NC1=S

InChI

InChI=1S/C21H22N4OS/c26-20-18-14-24(12-11-16-7-3-1-4-8-16)15-22-19(18)25(21(27)23-20)13-17-9-5-2-6-10-17/h1-10,22H,11-15H2,(H,23,26,27)

InChI Key

QVPPTCHIZYUGTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07638424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.199

Distribution Coefficient, logD

3.132

Water Solubility, LogSw

-3.37

Polar Surface Area

40.899

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 8018-9048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9048?
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What is the minimum amount of 8018-9048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9048
  • 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 8018-9048 available by request