7834-0090 Screening compound: 1,6-bis(2-phenylethyl)-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-one

7834-0090 Screening compound: 1,6-bis(2-phenylethyl)-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-one
7834-0090 Screening compound: 1,6-bis(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 7834-0090
1,6-bis(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

7834-0090

Molecular Formula

C22H24N4OS (C22 H24 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CN(CCc1ccccc1)CN1)=C1N1CCc2ccccc2)NC1=S

InChI

InChI=1S/C22H24N4OS/c27-21-19-15-25(13-11-17-7-3-1-4-8-17)16-23-20(19)26(22(28)24-21)14-12-18-9-5-2-6-10-18/h1-10,23H,11-16H2,(H,24,27,28)

InChI Key

NJKSWCORDKWIMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06177141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.298

Distribution Coefficient, logD

2.918

Water Solubility, LogSw

-3.46

Polar Surface Area

40.877

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

7.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

7834-0090 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7834-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7834-0090?
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What is the minimum amount of 7834-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7834-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7834-0090
  • 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 7834-0090 available by request