E644-0067 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

E644-0067 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide
E644-0067 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E644-0067
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

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

E644-0067

Molecular Formula

C24H24N2O3 (C24 H24 N2 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-(2-methyl-4567-tetrahydro-1H-indol-1-yl)benzamide

SMILES

Cc1cc(CCCC2)c2n1-c(cc1)ccc1C(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C24H24N2O3/c1-16-12-19-4-2-3-5-21(19)26(16)20-9-7-18(8-10-20)24(27)25-14-17-6-11-22-23(13-17)29-15-28-22/h6-13H,2-5,14-15H2,1H3,(H,25,27)

InChI Key

OQXCDDGURGVONE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.175

Distribution Coefficient, logD

4.175

Water Solubility, LogSw

-4.26

Polar Surface Area

44.337

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

E644-0067 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 E644-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E644-0067?
Check Price and Availability of E644-0067, 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 E644-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E644-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E644-0067
  • 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 E644-0067 available by request