L840-0086 Screening compound: 2-({4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)-1,2,3,4-tetrahydroisoquinoline

L840-0086 Screening compound: 2-({4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)-1,2,3,4-tetrahydroisoquinoline
L840-0086 Screening compound: 2-({4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound L840-0086
2-({4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)-1,2,3,4-tetrahydroisoquinoline

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

L840-0086

Molecular Formula

C20H20N4O4S2 (C20 H20 N4 O4 S2)

Compound Name

2-({4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-({4-[5-(pyrrolidine-1-carbonyl)-134-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)-1234-tetrahydroisoquinoline

SMILES

O=C(c1nnc(-c2csc(S(N(CC3)Cc4c3cccc4)(=O)=O)c2)o1)N1CCCC1

InChI

InChI=1S/C20H20N4O4S2/c25-20(23-8-3-4-9-23)19-22-21-18(28-19)16-11-17(29-13-16)30(26,27)24-10-7-14-5-1-2-6-15(14)12-24/h1-2,5-6,11,13H,3-4,7-10,12H2

InChI Key

OWKJCYOHWBDSHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.678

Distribution Coefficient, logD

2.678

Water Solubility, LogSw

-3.06

Polar Surface Area

80.160

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

L840-0086 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 L840-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L840-0086?
Check Price and Availability of L840-0086, 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 L840-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L840-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L840-0086
  • 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 L840-0086 available by request