G668-0039 Screening compound: 1-(3,4-dihydro-2H-1-benzopyran-3-carbonyl)-4-(4-methoxyphenyl)piperazine

G668-0039 Screening compound: 1-(3,4-dihydro-2H-1-benzopyran-3-carbonyl)-4-(4-methoxyphenyl)piperazine
G668-0039 Screening compound: 1-(3,4-dihydro-2H-1-benzopyran-3-carbonyl)-4-(4-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G668-0039
1-(3,4-dihydro-2H-1-benzopyran-3-carbonyl)-4-(4-methoxyphenyl)piperazine

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

G668-0039

Molecular Formula

C21H24N2O3 (C21 H24 N2 O3)

Compound Name

1-(3,4-dihydro-2H-1-benzopyran-3-carbonyl)-4-(4-methoxyphenyl)piperazine

IUPAC name

1-(34-dihydro-2H-1-benzopyran-3-carbonyl)-4-(4-methoxyphenyl)piperazine

SMILES

COc(cc1)ccc1N(CC1)CCN1C(C(C1)COc2c1cccc2)=O

InChI

InChI=1S/C21H24N2O3/c1-25-19-8-6-18(7-9-19)22-10-12-23(13-11-22)21(24)17-14-16-4-2-3-5-20(16)26-15-17/h2-9,17H,10-15H2,1H3/t17-/m0/s1

InChI Key

VSVSSGBGQGQXPH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD10810788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.505

Distribution Coefficient, logD

3.505

Water Solubility, LogSw

-3.44

Polar Surface Area

36.061

Acid Dissociation Constant (pKa)

21.97

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

G668-0039 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G668-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G668-0039?
Check Price and Availability of G668-0039, 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 G668-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G668-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G668-0039
  • 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 G668-0039 available by request