5701-2274 Screening compound: (8E)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-methyl-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione

5701-2274 Screening compound: (8E)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-methyl-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione
5701-2274 Screening compound: (8E)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-methyl-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5701-2274
(8E)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-methyl-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione

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

5701-2274

Molecular Formula

C22H20F2N2S (C22 H20 F2 N2 S)

Compound Name

(8E)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-methyl-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione

IUPAC name

(8E)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-methyl-12345678-octahydroquinazoline-2-thione

SMILES

CC(CC(C(c(cccc1)c1F)N1)=C2NC1=S)C/C2=C\c(cccc1)c1F

InChI

InChI=1S/C22H20F2N2S/c1-13-10-15(12-14-6-2-4-8-18(14)23)20-17(11-13)21(26-22(27)25-20)16-7-3-5-9-19(16)24/h2-9,12-13,21H,10-11H2,1H3,(H2,25,26,27)

InChI Key

PADDBNBWCSSZHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03679900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.589

Distribution Coefficient, logD

5.589

Water Solubility, LogSw

-5.69

Polar Surface Area

22.880

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.70

5701-2274 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5701-2274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5701-2274?
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What is the minimum amount of 5701-2274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5701-2274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5701-2274
  • 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 5701-2274 available by request