8019-1160 Screening compound: 1-(2-phenylethyl)-6-(3-phenylpropyl)-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-one

8019-1160 Screening compound: 1-(2-phenylethyl)-6-(3-phenylpropyl)-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-one
8019-1160 Screening compound: 1-(2-phenylethyl)-6-(3-phenylpropyl)-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 8019-1160
1-(2-phenylethyl)-6-(3-phenylpropyl)-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

8019-1160

Molecular Formula

C23H26N4OS (C23 H26 N4 OS)

Compound Name

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

IUPAC name

1-(2-phenylethyl)-6-(3-phenylpropyl)-2-sulfanylidene-1H2H3H4H5H6H7H8H-[13]diazino[45-d]pyrimidin-4-one

SMILES

O=C(C(CN(CCCc1ccccc1)CN1)=C1N1CCc2ccccc2)NC1=S

InChI

InChI=1S/C23H26N4OS/c28-22-20-16-26(14-7-12-18-8-3-1-4-9-18)17-24-21(20)27(23(29)25-22)15-13-19-10-5-2-6-11-19/h1-6,8-11,24H,7,12-17H2,(H,25,28,29)

InChI Key

HPAGSZXSAMPDQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07638763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.850

Distribution Coefficient, logD

3.193

Water Solubility, LogSw

-4.05

Polar Surface Area

40.877

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

8019-1160 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8019-1160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1160?
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What is the minimum amount of 8019-1160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1160
  • 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 8019-1160 available by request