L957-0679 Screening compound: N-[3-(diethylamino)propyl]-5-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,3,4-oxadiazole-2-carboxamide

L957-0679 Screening compound: N-[3-(diethylamino)propyl]-5-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,3,4-oxadiazole-2-carboxamide
L957-0679 Screening compound: N-[3-(diethylamino)propyl]-5-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,3,4-oxadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L957-0679
N-[3-(diethylamino)propyl]-5-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,3,4-oxadiazole-2-carboxamide

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

L957-0679

Molecular Formula

C22H33N5O4S (C22 H33 N5 O4 S)

Compound Name

N-[3-(diethylamino)propyl]-5-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-1,3,4-oxadiazole-2-carboxamide

IUPAC name

N-[3-(diethylamino)propyl]-5-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}-134-oxadiazole-2-carboxamide

SMILES

CCN(CC)CCCNC(c1nnc(-c(cc2)ccc2S(N2CCC(C)CC2)(=O)=O)o1)=O

InChI

InChI=1S/C22H33N5O4S/c1-4-26(5-2)14-6-13-23-20(28)22-25-24-21(31-22)18-7-9-19(10-8-18)32(29,30)27-15-11-17(3)12-16-27/h7-10,17H,4-6,11-16H2,1-3H3,(H,23,28)

InChI Key

KCPZBUHJWGFWTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27489666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.379

Distribution Coefficient, logD

-0.342

Water Solubility, LogSw

-2.76

Polar Surface Area

90.403

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

L957-0679 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L957-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L957-0679?
Check Price and Availability of L957-0679, 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 L957-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L957-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L957-0679
  • 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 L957-0679 available by request