G609-0371 Screening compound: 5-(azepane-1-carbonyl)-3-(4-methylphenyl)-2,1-benzoxazole

G609-0371 Screening compound: 5-(azepane-1-carbonyl)-3-(4-methylphenyl)-2,1-benzoxazole
G609-0371 Screening compound: 5-(azepane-1-carbonyl)-3-(4-methylphenyl)-2,1-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G609-0371
5-(azepane-1-carbonyl)-3-(4-methylphenyl)-2,1-benzoxazole

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

G609-0371

Molecular Formula

C21H22N2O2 (C21 H22 N2 O2)

Compound Name

5-(azepane-1-carbonyl)-3-(4-methylphenyl)-2,1-benzoxazole

IUPAC name

5-(azepane-1-carbonyl)-3-(4-methylphenyl)-21-benzoxazole

SMILES

Cc(cc1)ccc1-c1c(cc(cc2)C(N3CCCCCC3)=O)c2no1

InChI

InChI=1S/C21H22N2O2/c1-15-6-8-16(9-7-15)20-18-14-17(10-11-19(18)22-25-20)21(24)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3

InChI Key

JOHHZPUNENTRBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.792

Distribution Coefficient, logD

4.792

Water Solubility, LogSw

-4.65

Polar Surface Area

38.701

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G609-0371 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with G609-0371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G609-0371?
Check Price and Availability of G609-0371, 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 G609-0371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G609-0371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G609-0371
  • 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 G609-0371 available by request