C591-0405F Screening compound: N-(4-chlorophenethyl)-4-[5-(4-methoxyphenyl)-3-isoxazolyl]butanamide

C591-0405F Screening compound: N-(4-chlorophenethyl)-4-[5-(4-methoxyphenyl)-3-isoxazolyl]butanamide
C591-0405F Screening compound: N-(4-chlorophenethyl)-4-[5-(4-methoxyphenyl)-3-isoxazolyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C591-0405F
N-(4-chlorophenethyl)-4-[5-(4-methoxyphenyl)-3-isoxazolyl]butanamide

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

C591-0405F

Molecular Formula

C22H23ClN2O3 (C22 H23 ClN2 O3)

Compound Name

N-(4-chlorophenethyl)-4-[5-(4-methoxyphenyl)-3-isoxazolyl]butanamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-4-[5-(4-methoxyphenyl)-12-oxazol-3-yl]butanamide

SMILES

COc(cc1)ccc1-c1cc(CCCC(NCCc(cc2)ccc2Cl)=O)no1

InChI

InChI=1S/C22H23ClN2O3/c1-27-20-11-7-17(8-12-20)21-15-19(25-28-21)3-2-4-22(26)24-14-13-16-5-9-18(23)10-6-16/h5-12,15H,2-4,13-14H2,1H3,(H,24,26)

InChI Key

HJYOKUAYLVOYOT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.154

Distribution Coefficient, logD

4.154

Water Solubility, LogSw

-4.59

Polar Surface Area

53.854

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

References: we are preparing a list of scientific research reports with C591-0405F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C591-0405F?
Check Price and Availability of C591-0405F, 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 C591-0405F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C591-0405F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C591-0405F
  • 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 C591-0405F available by request