K953-0043 Screening compound: 3-(2-ethylpiperidine-1-carbonyl)-4-(4-methylphenyl)-1H-isochromen-1-one

K953-0043 Screening compound: 3-(2-ethylpiperidine-1-carbonyl)-4-(4-methylphenyl)-1H-isochromen-1-one
K953-0043 Screening compound: 3-(2-ethylpiperidine-1-carbonyl)-4-(4-methylphenyl)-1H-isochromen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K953-0043
3-(2-ethylpiperidine-1-carbonyl)-4-(4-methylphenyl)-1H-isochromen-1-one

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

K953-0043

Molecular Formula

C24H25NO3 (C24 H25 NO3)

Compound Name

3-(2-ethylpiperidine-1-carbonyl)-4-(4-methylphenyl)-1H-isochromen-1-one

IUPAC name

3-(2-ethylpiperidine-1-carbonyl)-4-(4-methylphenyl)-1H-isochromen-1-one

SMILES

CCC(CCCC1)N1C(C(O1)=C(c2ccc(C)cc2)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C24H25NO3/c1-3-18-8-6-7-15-25(18)23(26)22-21(17-13-11-16(2)12-14-17)19-9-4-5-10-20(19)24(27)28-22/h4-5,9-14,18H,3,6-8,15H2,1-2H3/t18-/m0/s1

InChI Key

CPEDFLBTAHCNMU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15115403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.666

Distribution Coefficient, logD

4.666

Water Solubility, LogSw

-4.50

Polar Surface Area

37.262

Acid Dissociation Constant (pKa)

26.62

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

K953-0043 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 K953-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K953-0043?
Check Price and Availability of K953-0043, 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 K953-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K953-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K953-0043
  • 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 K953-0043 available by request