G609-0554 Screening compound: 3-(4-methylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,1-benzoxazole-5-carboxamide

G609-0554 Screening compound: 3-(4-methylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,1-benzoxazole-5-carboxamide
G609-0554 Screening compound: 3-(4-methylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,1-benzoxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G609-0554
3-(4-methylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,1-benzoxazole-5-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

G609-0554

Molecular Formula

C25H22N2O2 (C25 H22 N2 O2)

Compound Name

3-(4-methylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,1-benzoxazole-5-carboxamide

IUPAC name

3-(4-methylphenyl)-N-(5678-tetrahydronaphthalen-1-yl)-21-benzoxazole-5-carboxamide

SMILES

Cc(cc1)ccc1-c1c(cc(cc2)C(Nc3c(CCCC4)c4ccc3)=O)c2no1

InChI

InChI=1S/C25H22N2O2/c1-16-9-11-18(12-10-16)24-21-15-19(13-14-23(21)27-29-24)25(28)26-22-8-4-6-17-5-2-3-7-20(17)22/h4,6,8-15H,2-3,5,7H2,1H3,(H,26,28)

InChI Key

BWNDBFZJMUYCBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.533

Distribution Coefficient, logD

6.533

Water Solubility, LogSw

-5.63

Polar Surface Area

44.036

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G609-0554 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G609-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G609-0554?
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What is the minimum amount of G609-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G609-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G609-0554
  • 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 G609-0554 available by request