4491-2289 Screening compound: methyl 2,3,4,9-tetrahydro-1H-carbazole-6-carboxylate

4491-2289 Screening compound: methyl 2,3,4,9-tetrahydro-1H-carbazole-6-carboxylate
4491-2289 Screening compound: methyl 2,3,4,9-tetrahydro-1H-carbazole-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-2289
methyl 2,3,4,9-tetrahydro-1H-carbazole-6-carboxylate

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

4491-2289

Molecular Formula

C14H15NO2 (C14 H15 NO2)

Compound Name

methyl 2,3,4,9-tetrahydro-1H-carbazole-6-carboxylate

IUPAC name

methyl 2349-tetrahydro-1H-carbazole-6-carboxylate

SMILES

COC(c(cc1)cc2c1[nH]c1c2CCCC1)=O

InChI

InChI=1S/C14H15NO2/c1-17-14(16)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h6-8,15H,2-5H2,1H3

InChI Key

BKZXJPQRDUHCJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

229.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.970

Distribution Coefficient, logD

2.970

Water Solubility, LogSw

-3.32

Polar Surface Area

32.183

Acid Dissociation Constant (pKa)

17.27

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

4491-2289 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4491-2289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-2289?
Check Price and Availability of 4491-2289, 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 4491-2289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-2289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-2289
  • 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 4491-2289 available by request