L828-0872 Screening compound: 2-({4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}sulfonyl)-1,2,3,4-tetrahydroisoquinoline

L828-0872 Screening compound: 2-({4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}sulfonyl)-1,2,3,4-tetrahydroisoquinoline
L828-0872 Screening compound: 2-({4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl}sulfonyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound L828-0872
2-({4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-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

L828-0872

Molecular Formula

C21H16FN3O3S2 (C21 H16 FN3 O3 S2)

Compound Name

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

IUPAC name

2-({4-[3-(3-fluorophenyl)-124-oxadiazol-5-yl]thiophen-2-yl}sulfonyl)-1234-tetrahydroisoquinoline

SMILES

O=S(c1cc(-c2nc(-c3cc(F)ccc3)no2)cs1)(N(CC1)Cc2c1cccc2)=O

InChI

InChI=1S/C21H16FN3O3S2/c22-18-7-3-6-15(10-18)20-23-21(28-24-20)17-11-19(29-13-17)30(26,27)25-9-8-14-4-1-2-5-16(14)12-25/h1-7,10-11,13H,8-9,12H2

InChI Key

AXORNHCZZNUCDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.244

Distribution Coefficient, logD

5.244

Water Solubility, LogSw

-5.51

Polar Surface Area

64.035

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

-5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

L828-0872 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 L828-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L828-0872?
Check Price and Availability of L828-0872, 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 L828-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L828-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L828-0872
  • 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 L828-0872 available by request