D325-0722 Screening compound: 3-(propan-2-yl)-2-sulfanylidene-2,3,4,6-tetrahydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one

D325-0722 Screening compound: 3-(propan-2-yl)-2-sulfanylidene-2,3,4,6-tetrahydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one
D325-0722 Screening compound: 3-(propan-2-yl)-2-sulfanylidene-2,3,4,6-tetrahydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D325-0722
3-(propan-2-yl)-2-sulfanylidene-2,3,4,6-tetrahydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-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

D325-0722

Molecular Formula

C19H22N2OS (C19 H22 N2 OS)

Compound Name

3-(propan-2-yl)-2-sulfanylidene-2,3,4,6-tetrahydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one

IUPAC name

3-(propan-2-yl)-2-sulfanylidene-2346-tetrahydro-1H-spiro[benzo[h]quinazoline-51'-cyclopentan]-4-one

SMILES

CC(C)N(C(C(C1(CCCC1)Cc1c2cccc1)=C2N1)=O)C1=S

InChI

InChI=1S/C19H22N2OS/c1-12(2)21-17(22)15-16(20-18(21)23)14-8-4-3-7-13(14)11-19(15)9-5-6-10-19/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,20,23)

InChI Key

MYCSIFLCMPXLBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.832

Distribution Coefficient, logD

3.817

Water Solubility, LogSw

-3.93

Polar Surface Area

27.454

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

-5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

D325-0722 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D325-0722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D325-0722?
Check Price and Availability of D325-0722, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D325-0722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D325-0722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D325-0722
  • 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 D325-0722 available by request