G582-2813 Screening compound: N-{[4-(methylsulfanyl)phenyl]methyl}-4-(phenylamino)quinazoline-2-carboxamide

G582-2813 Screening compound: N-{[4-(methylsulfanyl)phenyl]methyl}-4-(phenylamino)quinazoline-2-carboxamide
G582-2813 Screening compound: N-{[4-(methylsulfanyl)phenyl]methyl}-4-(phenylamino)quinazoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G582-2813
N-{[4-(methylsulfanyl)phenyl]methyl}-4-(phenylamino)quinazoline-2-carboxamide

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

G582-2813

Molecular Formula

C23H20N4OS (C23 H20 N4 OS)

Compound Name

N-{[4-(methylsulfanyl)phenyl]methyl}-4-(phenylamino)quinazoline-2-carboxamide

IUPAC name

N-{[4-(methylsulfanyl)phenyl]methyl}-4-(phenylamino)quinazoline-2-carboxamide

SMILES

CSc1ccc(CNC(c2nc3ccccc3c(Nc3ccccc3)n2)=O)cc1

InChI

InChI=1S/C23H20N4OS/c1-29-18-13-11-16(12-14-18)15-24-23(28)22-26-20-10-6-5-9-19(20)21(27-22)25-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,28)(H,25,26,27)

InChI Key

NJPQFZDKXDZWMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27144708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.169

Distribution Coefficient, logD

5.169

Water Solubility, LogSw

-5.23

Polar Surface Area

52.490

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

G582-2813 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with G582-2813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G582-2813?
Check Price and Availability of G582-2813, 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 G582-2813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G582-2813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G582-2813
  • 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 G582-2813 available by request