6063-0041 Screening compound: 3-tert-butyl-2,3,4,9-tetrahydro-1H-carbazole

6063-0041 Screening compound: 3-tert-butyl-2,3,4,9-tetrahydro-1H-carbazole
6063-0041 Screening compound: 3-tert-butyl-2,3,4,9-tetrahydro-1H-carbazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6063-0041
3-tert-butyl-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

6063-0041

Molecular Formula

C16H21N (C16 H21 N)

Compound Name

3-tert-butyl-2,3,4,9-tetrahydro-1H-carbazole

IUPAC name

3-tert-butyl-2349-tetrahydro-1H-carbazole

SMILES

CC(C)(C)C(CC1)Cc2c1[nH]c1c2cccc1

InChI

InChI=1S/C16H21N/c1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15/h4-7,11,17H,8-10H2,1-3H3/t11-/m1/s1

InChI Key

IHQFCGFAJBMHHN-LLVKDONJSA-N

MDL Number (MFCD)

MFCD02942368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

227.35

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.274

Distribution Coefficient, logD

4.274

Water Solubility, LogSw

-4.36

Polar Surface Area

11.009

Acid Dissociation Constant (pKa)

18.51

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

6063-0041 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 6063-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6063-0041?
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What is the minimum amount of 6063-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6063-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6063-0041
  • 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 6063-0041 available by request