C607-0730 Screening compound: N-(3-methylbutyl)-1-oxo-4-phenyl-N-[1-(thiophen-2-yl)ethyl]-1H-isochromene-3-carboxamide

C607-0730 Screening compound: N-(3-methylbutyl)-1-oxo-4-phenyl-N-[1-(thiophen-2-yl)ethyl]-1H-isochromene-3-carboxamide
C607-0730 Screening compound: N-(3-methylbutyl)-1-oxo-4-phenyl-N-[1-(thiophen-2-yl)ethyl]-1H-isochromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C607-0730
N-(3-methylbutyl)-1-oxo-4-phenyl-N-[1-(thiophen-2-yl)ethyl]-1H-isochromene-3-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

C607-0730

Molecular Formula

C27H27NO3S (C27 H27 NO3 S)

Compound Name

N-(3-methylbutyl)-1-oxo-4-phenyl-N-[1-(thiophen-2-yl)ethyl]-1H-isochromene-3-carboxamide

IUPAC name

N-(3-methylbutyl)-1-oxo-4-phenyl-N-[1-(thiophen-2-yl)ethyl]-1H-isochromene-3-carboxamide

SMILES

CC(C)CCN(C(C)c1cccs1)C(C(O1)=C(c2ccccc2)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C27H27NO3S/c1-18(2)15-16-28(19(3)23-14-9-17-32-23)26(29)25-24(20-10-5-4-6-11-20)21-12-7-8-13-22(21)27(30)31-25/h4-14,17-19H,15-16H2,1-3H3/t19-/m0/s1

InChI Key

ZHCBQGLORXIPFU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14775272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.844

Distribution Coefficient, logD

5.844

Water Solubility, LogSw

-5.73

Polar Surface Area

37.540

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

C607-0730 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cardiovascular Library (22201 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C607-0730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C607-0730?
Check Price and Availability of C607-0730, 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 C607-0730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C607-0730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C607-0730
  • 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 C607-0730 available by request