5842-8697 Screening compound: 5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole

5842-8697 Screening compound: 5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole
5842-8697 Screening compound: 5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5842-8697
5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole

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

5842-8697

Molecular Formula

C14H17N (C14 H17 N)

Compound Name

5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole

IUPAC name

57-dimethyl-2349-tetrahydro-1H-carbazole

SMILES

Cc1cc([nH]c2c3CCCC2)c3c(C)c1

InChI

InChI=1S/C14H17N/c1-9-7-10(2)14-11-5-3-4-6-12(11)15-13(14)8-9/h7-8,15H,3-6H2,1-2H3

InChI Key

MUECDLDPZVRWFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04083053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

199.3

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.848

Distribution Coefficient, logD

3.848

Water Solubility, LogSw

-4.14

Polar Surface Area

11.009

Acid Dissociation Constant (pKa)

17.98

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

5842-8697 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 5842-8697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5842-8697?
Check Price and Availability of 5842-8697, 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 5842-8697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5842-8697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5842-8697
  • 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 5842-8697 available by request