G668-0497 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide

G668-0497 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide
G668-0497 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G668-0497
N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-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

G668-0497

Molecular Formula

C21H22N2O3 (C21 H22 N2 O3)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-34-dihydro-2H-1-benzopyran-3-carboxamide

SMILES

COc(cc1)cc(C2)c1OCC2C(NCCc1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C21H22N2O3/c1-25-17-6-7-20-15(11-17)10-16(13-26-20)21(24)22-9-8-14-12-23-19-5-3-2-4-18(14)19/h2-7,11-12,16,23H,8-10,13H2,1H3,(H,22,24)/t16-/m0/s1

InChI Key

JHOIXRBCTAGQMS-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15027770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.413

Distribution Coefficient, logD

3.413

Water Solubility, LogSw

-3.63

Polar Surface Area

50.278

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

G668-0497 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 G668-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G668-0497?
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What is the minimum amount of G668-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G668-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G668-0497
  • 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 G668-0497 available by request