G668-0031 Screening compound: N-butyl-N-methyl-3,4-dihydro-2H-1-benzopyran-3-carboxamide

G668-0031 Screening compound: N-butyl-N-methyl-3,4-dihydro-2H-1-benzopyran-3-carboxamide
G668-0031 Screening compound: N-butyl-N-methyl-3,4-dihydro-2H-1-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G668-0031
N-butyl-N-methyl-3,4-dihydro-2H-1-benzopyran-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

G668-0031

Molecular Formula

C15H21NO2 (C15 H21 NO2)

Compound Name

N-butyl-N-methyl-3,4-dihydro-2H-1-benzopyran-3-carboxamide

IUPAC name

N-butyl-N-methyl-34-dihydro-2H-1-benzopyran-3-carboxamide

SMILES

CCCCN(C)C(C(C1)COc2c1cccc2)=O

InChI

InChI=1S/C15H21NO2/c1-3-4-9-16(2)15(17)13-10-12-7-5-6-8-14(12)18-11-13/h5-8,13H,3-4,9-11H2,1-2H3/t13-/m0/s1

InChI Key

SQDQANZGIPPDMO-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15027599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.924

Distribution Coefficient, logD

2.924

Water Solubility, LogSw

-3.05

Polar Surface Area

25.009

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

G668-0031 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G668-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G668-0031?
Check Price and Availability of G668-0031, 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 G668-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G668-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G668-0031
  • 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 G668-0031 available by request