8006-4998 Screening compound: 5-(benzyloxy)-N-[2-(diethylamino)ethyl]-3-methyl-1H-indole-2-carboxamide

8006-4998 Screening compound: 5-(benzyloxy)-N-[2-(diethylamino)ethyl]-3-methyl-1H-indole-2-carboxamide
8006-4998 Screening compound: 5-(benzyloxy)-N-[2-(diethylamino)ethyl]-3-methyl-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4998
5-(benzyloxy)-N-[2-(diethylamino)ethyl]-3-methyl-1H-indole-2-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

8006-4998

Molecular Formula

C23H29N3O2 (C23 H29 N3 O2)

Compound Name

5-(benzyloxy)-N-[2-(diethylamino)ethyl]-3-methyl-1H-indole-2-carboxamide

IUPAC name

5-(benzyloxy)-N-[2-(diethylamino)ethyl]-3-methyl-1H-indole-2-carboxamide

SMILES

CCN(CC)CCNC(c1c(C)c(cc(cc2)OCc3ccccc3)c2[nH]1)=O

InChI

InChI=1S/C23H29N3O2/c1-4-26(5-2)14-13-24-23(27)22-17(3)20-15-19(11-12-21(20)25-22)28-16-18-9-7-6-8-10-18/h6-12,15,25H,4-5,13-14,16H2,1-3H3,(H,24,27)

InChI Key

KAIBCJOELXAENF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00763976

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

379.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.903

Distribution Coefficient, logD

2.473

Water Solubility, LogSw

-4.07

Polar Surface Area

45.523

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

8.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

8006-4998 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8006-4998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4998?
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What is the minimum amount of 8006-4998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4998
  • 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 8006-4998 available by request