8015-2083 Screening compound: 2-(2-thienylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid

8015-2083 Screening compound: 2-(2-thienylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
8015-2083 Screening compound: 2-(2-thienylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2083
2-(2-thienylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic 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

8015-2083

Molecular Formula

C14H13NO4S2 (C14 H13 NO4 S2)

Compound Name

2-(2-thienylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid

IUPAC name

2-(thiophene-2-sulfonyl)-1234-tetrahydroisoquinoline-3-carboxylic acid

SMILES

OC(C(Cc1c(C2)cccc1)N2S(c1cccs1)(=O)=O)=O

InChI

InChI=1S/C14H13NO4S2/c16-14(17)12-8-10-4-1-2-5-11(10)9-15(12)21(18,19)13-6-3-7-20-13/h1-7,12H,8-9H2,(H,16,17)/t12-/m0/s1

InChI Key

BLLKGHBDKCMCSU-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03724567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.39

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

2.060

Distribution Coefficient, logD

-1.482

Water Solubility, LogSw

-2.54

Polar Surface Area

61.509

Acid Dissociation Constant (pKa)

3.86

Base Dissociation Constant (pKb)

-7.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.43

8015-2083 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-2083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2083?
Check Price and Availability of 8015-2083, 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 8015-2083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2083
  • 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 8015-2083 available by request