8014-2249 Screening compound: 3-[3,4-dihydro-2(1H)-isoquinolinylsulfonyl]benzoic acid

8014-2249 Screening compound: 3-[3,4-dihydro-2(1H)-isoquinolinylsulfonyl]benzoic acid
8014-2249 Screening compound: 3-[3,4-dihydro-2(1H)-isoquinolinylsulfonyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2249
3-[3,4-dihydro-2(1H)-isoquinolinylsulfonyl]benzoic acid

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

8014-2249

Molecular Formula

C16H15NO4S (C16 H15 NO4 S)

Compound Name

3-[3,4-dihydro-2(1H)-isoquinolinylsulfonyl]benzoic acid

IUPAC name

3-(1234-tetrahydroisoquinoline-2-sulfonyl)benzoic acid

SMILES

OC(c1cccc(S(N(CC2)Cc3c2cccc3)(=O)=O)c1)=O

InChI

InChI=1S/C16H15NO4S/c18-16(19)13-6-3-7-15(10-13)22(20,21)17-9-8-12-4-1-2-5-14(12)11-17/h1-7,10H,8-9,11H2,(H,18,19)

InChI Key

ZGVIUMKHTXKKOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01197550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.230

Distribution Coefficient, logD

-1.476

Water Solubility, LogSw

-3.45

Polar Surface Area

60.019

Acid Dissociation Constant (pKa)

2.69

Base Dissociation Constant (pKb)

-6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

8014-2249 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8014-2249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2249?
Check Price and Availability of 8014-2249, 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 8014-2249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2249
  • 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 8014-2249 available by request