G582-3076 Screening compound: 4-[(4-fluorophenyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide

G582-3076 Screening compound: 4-[(4-fluorophenyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide
G582-3076 Screening compound: 4-[(4-fluorophenyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G582-3076
4-[(4-fluorophenyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)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

G582-3076

Molecular Formula

C25H21FN4O (C25 H21 FN4 O)

Compound Name

4-[(4-fluorophenyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide

IUPAC name

4-[(4-fluorophenyl)amino]-N-(1234-tetrahydronaphthalen-1-yl)quinazoline-2-carboxamide

SMILES

O=C(c1nc2ccccc2c(Nc(cc2)ccc2F)n1)NC(CCC1)c2c1cccc2

InChI

InChI=1S/C25H21FN4O/c26-17-12-14-18(15-13-17)27-23-20-9-3-4-10-22(20)28-24(30-23)25(31)29-21-11-5-7-16-6-1-2-8-19(16)21/h1-4,6,8-10,12-15,21H,5,7,11H2,(H,29,31)(H,27,28,30)/t21-/m0/s1

InChI Key

GTWKLFIWONDUGN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27144779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.690

Distribution Coefficient, logD

5.690

Water Solubility, LogSw

-6.06

Polar Surface Area

52.334

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

G582-3076 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G582-3076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G582-3076?
Check Price and Availability of G582-3076, 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 G582-3076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G582-3076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G582-3076
  • 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 G582-3076 available by request