5586-2833 Screening compound: N-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide

5586-2833 Screening compound: N-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide
5586-2833 Screening compound: N-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5586-2833
N-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide

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

5586-2833

Molecular Formula

C14H13F3N2O (C14 H13 F3 N2 O)

Compound Name

N-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide

IUPAC name

N-[6-(trifluoromethyl)-2349-tetrahydro-1H-carbazol-1-yl]formamide

SMILES

O=CNC(CCC1)c2c1c(cc(C(F)(F)F)cc1)c1[nH]2

InChI

InChI=1S/C14H13F3N2O/c15-14(16,17)8-4-5-11-10(6-8)9-2-1-3-12(18-7-20)13(9)19-11/h4-7,12,19H,1-3H2,(H,18,20)/t12-/m0/s1

InChI Key

HFCWDLKJKWRBPQ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01807011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.27

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.289

Distribution Coefficient, logD

3.289

Water Solubility, LogSw

-3.49

Polar Surface Area

36.164

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

5586-2833 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5586-2833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5586-2833?
Check Price and Availability of 5586-2833, 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 5586-2833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5586-2833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5586-2833
  • 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 5586-2833 available by request