8017-3444 Screening compound: 1-(adamantane-1-carbonyl)-2-methyl-2,3-dihydro-1H-indole

8017-3444 Screening compound: 1-(adamantane-1-carbonyl)-2-methyl-2,3-dihydro-1H-indole
8017-3444 Screening compound: 1-(adamantane-1-carbonyl)-2-methyl-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3444
1-(adamantane-1-carbonyl)-2-methyl-2,3-dihydro-1H-indole

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

8017-3444

Molecular Formula

C20H25NO (C20 H25 NO)

Compound Name

1-(adamantane-1-carbonyl)-2-methyl-2,3-dihydro-1H-indole

IUPAC name

1-(adamantane-1-carbonyl)-2-methyl-23-dihydro-1H-indole

SMILES

CC(C1)N(C(C2(CC(C3)C4)CC4CC3C2)=O)c2c1cccc2

InChI

InChI=1S/C20H25NO/c1-13-6-17-4-2-3-5-18(17)21(13)19(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-5,13-16H,6-12H2,1H3/t13-,14?,15?,16?,20?/m0/s1

InChI Key

IMPIYNHOYIYMPI-IVKJLDKCSA-N

MDL Number (MFCD)

MFCD02174813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.077

Distribution Coefficient, logD

5.077

Water Solubility, LogSw

-4.85

Polar Surface Area

14.889

Acid Dissociation Constant (pKa)

24.62

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

8017-3444 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-3444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3444?
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What is the minimum amount of 8017-3444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3444
  • 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 8017-3444 available by request