L957-1039 Screening compound: 2-{5-[4-(morpholine-4-sulfonyl)phenyl]-1,3,4-oxadiazole-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline

L957-1039 Screening compound: 2-{5-[4-(morpholine-4-sulfonyl)phenyl]-1,3,4-oxadiazole-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline
L957-1039 Screening compound: 2-{5-[4-(morpholine-4-sulfonyl)phenyl]-1,3,4-oxadiazole-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound L957-1039
2-{5-[4-(morpholine-4-sulfonyl)phenyl]-1,3,4-oxadiazole-2-carbonyl}-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

L957-1039

Molecular Formula

C22H22N4O5S (C22 H22 N4 O5 S)

Compound Name

2-{5-[4-(morpholine-4-sulfonyl)phenyl]-1,3,4-oxadiazole-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{5-[4-(morpholine-4-sulfonyl)phenyl]-134-oxadiazole-2-carbonyl}-1234-tetrahydroisoquinoline

SMILES

O=C(c1nnc(-c(cc2)ccc2S(N2CCOCC2)(=O)=O)o1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C22H22N4O5S/c27-22(25-10-9-16-3-1-2-4-18(16)15-25)21-24-23-20(31-21)17-5-7-19(8-6-17)32(28,29)26-11-13-30-14-12-26/h1-8H,9-15H2

InChI Key

GEDKGNHZRCAWDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27489731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.032

Distribution Coefficient, logD

2.032

Water Solubility, LogSw

-2.52

Polar Surface Area

86.684

Acid Dissociation Constant (pKa)

25.56

Base Dissociation Constant (pKb)

-5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L957-1039 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L957-1039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L957-1039?
Check Price and Availability of L957-1039, 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 L957-1039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L957-1039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L957-1039
  • 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 L957-1039 available by request