5701-2278 Screening compound: (8E)-4-(3,4-dimethoxyphenyl)-8-[(3,4-dimethoxyphenyl)methylidene]-6-methyl-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione

5701-2278 Screening compound: (8E)-4-(3,4-dimethoxyphenyl)-8-[(3,4-dimethoxyphenyl)methylidene]-6-methyl-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione
5701-2278 Screening compound: (8E)-4-(3,4-dimethoxyphenyl)-8-[(3,4-dimethoxyphenyl)methylidene]-6-methyl-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5701-2278
(8E)-4-(3,4-dimethoxyphenyl)-8-[(3,4-dimethoxyphenyl)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

5701-2278

Molecular Formula

C26H30N2O4S (C26 H30 N2 O4 S)

Compound Name

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

IUPAC name

(8E)-4-(34-dimethoxyphenyl)-8-[(34-dimethoxyphenyl)methylidene]-6-methyl-12345678-octahydroquinazoline-2-thione

SMILES

CC(CC(C(c(cc1)cc(OC)c1OC)N1)=C2NC1=S)C/C2=C\c(cc1)cc(OC)c1OC

InChI

InChI=1S/C26H30N2O4S/c1-15-10-18(12-16-6-8-20(29-2)22(13-16)31-4)25-19(11-15)24(27-26(33)28-25)17-7-9-21(30-3)23(14-17)32-5/h6-9,12-15,24H,10-11H2,1-5H3,(H2,27,28,33)

InChI Key

LOFXRFQONVDWNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03674473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.525

Distribution Coefficient, logD

4.525

Water Solubility, LogSw

-4.39

Polar Surface Area

53.402

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with 5701-2278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5701-2278?
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What is the minimum amount of 5701-2278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5701-2278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5701-2278
  • 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 5701-2278 available by request