F714-1029 Screening compound: 2-[2-(4-bromobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide

F714-1029 Screening compound: 2-[2-(4-bromobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
F714-1029 Screening compound: 2-[2-(4-bromobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F714-1029
2-[2-(4-bromobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide

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

F714-1029

Molecular Formula

C24H22BrFN2O3S (C24 H22 BrFN2 O3 S)

Compound Name

2-[2-(4-bromobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide

IUPAC name

2-[2-(4-bromobenzenesulfonyl)-1234-tetrahydroisoquinolin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide

SMILES

O=C(CC(c1c(CC2)cccc1)N2S(c(cc1)ccc1Br)(=O)=O)NCc1cc(F)ccc1

InChI

InChI=1S/C24H22BrFN2O3S/c25-19-8-10-21(11-9-19)32(30,31)28-13-12-18-5-1-2-7-22(18)23(28)15-24(29)27-16-17-4-3-6-20(26)14-17/h1-11,14,23H,12-13,15-16H2,(H,27,29)/t23-/m0/s1

InChI Key

VATZUXRTHLAAFU-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27187372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.056

Distribution Coefficient, logD

5.056

Water Solubility, LogSw

-4.96

Polar Surface Area

56.125

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

-3.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

F714-1029 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with F714-1029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F714-1029?
Check Price and Availability of F714-1029, 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 F714-1029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F714-1029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F714-1029
  • 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 F714-1029 available by request