F714-0984 Screening compound: 1-(azepan-1-yl)-2-[2-(4-bromobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethan-1-one

F714-0984 Screening compound: 1-(azepan-1-yl)-2-[2-(4-bromobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethan-1-one
F714-0984 Screening compound: 1-(azepan-1-yl)-2-[2-(4-bromobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F714-0984
1-(azepan-1-yl)-2-[2-(4-bromobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethan-1-one

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

F714-0984

Molecular Formula

C23H27BrN2O3S (C23 H27 BrN2 O3 S)

Compound Name

1-(azepan-1-yl)-2-[2-(4-bromobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-[2-(4-bromobenzenesulfonyl)-1234-tetrahydroisoquinolin-1-yl]ethan-1-one

SMILES

O=C(CC(c1c(CC2)cccc1)N2S(c(cc1)ccc1Br)(=O)=O)N1CCCCCC1

InChI

InChI=1S/C23H27BrN2O3S/c24-19-9-11-20(12-10-19)30(28,29)26-16-13-18-7-3-4-8-21(18)22(26)17-23(27)25-14-5-1-2-6-15-25/h3-4,7-12,22H,1-2,5-6,13-17H2/t22-/m0/s1

InChI Key

JZTPCQILZBVYGJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27187349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.978

Distribution Coefficient, logD

4.978

Water Solubility, LogSw

-4.69

Polar Surface Area

48.377

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

F714-0984 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 F714-0984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F714-0984?
Check Price and Availability of F714-0984, 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 F714-0984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F714-0984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F714-0984
  • 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 F714-0984 available by request