C746-0587 Screening compound: N,N-diethyl-2-[3-(4-methylphenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetamide

C746-0587 Screening compound: N,N-diethyl-2-[3-(4-methylphenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetamide
C746-0587 Screening compound: N,N-diethyl-2-[3-(4-methylphenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C746-0587
N,N-diethyl-2-[3-(4-methylphenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetamide

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

C746-0587

Molecular Formula

C23H23N3O2S2 (C23 H23 N3 O2 S2)

Compound Name

N,N-diethyl-2-[3-(4-methylphenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetamide

IUPAC name

NN-diethyl-2-[3-(4-methylphenyl)-5-oxo-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazolin-4-yl]acetamide

SMILES

CCN(CC)C(CN(C(N1c2c3cccc2)=C(c2ccc(C)cc2)SC1=S)C3=O)=O

InChI

InChI=1S/C23H23N3O2S2/c1-4-24(5-2)19(27)14-25-21-20(16-12-10-15(3)11-13-16)30-23(29)26(21)18-9-7-6-8-17(18)22(25)28/h6-13H,4-5,14H2,1-3H3

InChI Key

LUUTZDLKVQEMCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.250

Distribution Coefficient, logD

4.250

Water Solubility, LogSw

-4.29

Polar Surface Area

33.464

Acid Dissociation Constant (pKa)

25.68

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C746-0587 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C746-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C746-0587?
Check Price and Availability of C746-0587, 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 C746-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C746-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C746-0587
  • 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 C746-0587 available by request