0599-0747 Screening compound: N-{[2-(2-chloroacetyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}cyclohexanecarboxamide

0599-0747 Screening compound: N-{[2-(2-chloroacetyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}cyclohexanecarboxamide
0599-0747 Screening compound: N-{[2-(2-chloroacetyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0599-0747
N-{[2-(2-chloroacetyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}cyclohexanecarboxamide

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

0599-0747

Molecular Formula

C19H25ClN2O2 (C19 H25 ClN2 O2)

Compound Name

N-{[2-(2-chloroacetyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}cyclohexanecarboxamide

IUPAC name

N-{[2-(2-chloroacetyl)-1234-tetrahydroisoquinolin-1-yl]methyl}cyclohexanecarboxamide

SMILES

O=C(CCl)N(CC1)C(CNC(C2CCCCC2)=O)c2c1cccc2

InChI

InChI=1S/C19H25ClN2O2/c20-12-18(23)22-11-10-14-6-4-5-9-16(14)17(22)13-21-19(24)15-7-2-1-3-8-15/h4-6,9,15,17H,1-3,7-8,10-13H2,(H,21,24)/t17-/m0/s1

InChI Key

UCJWLIDMRLKKDY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00552965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.184

Distribution Coefficient, logD

3.184

Water Solubility, LogSw

-3.15

Polar Surface Area

40.435

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

0599-0747 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0599-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0599-0747?
Check Price and Availability of 0599-0747, 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 0599-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0599-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0599-0747
  • 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 0599-0747 available by request