L949-0080 Screening compound: methyl 3-{[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino}thiophene-2-carboxylate

L949-0080 Screening compound: methyl 3-{[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino}thiophene-2-carboxylate
L949-0080 Screening compound: methyl 3-{[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino}thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L949-0080
methyl 3-{[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino}thiophene-2-carboxylate

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

L949-0080

Molecular Formula

C19H18N4O4S (C19 H18 N4 O4 S)

Compound Name

methyl 3-{[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino}thiophene-2-carboxylate

IUPAC name

methyl 3-{[2-(3-phenyl-124-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino}thiophene-2-carboxylate

SMILES

COC(c(scc1)c1NC(N(CCC1)C1c1nc(-c2ccccc2)no1)=O)=O

InChI

InChI=1S/C19H18N4O4S/c1-26-18(24)15-13(9-11-28-15)20-19(25)23-10-5-8-14(23)17-21-16(22-27-17)12-6-3-2-4-7-12/h2-4,6-7,9,11,14H,5,8,10H2,1H3,(H,20,25)/t14-/m0/s1

InChI Key

NSYUQSJIRIZNTK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27489225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.874

Distribution Coefficient, logD

3.874

Water Solubility, LogSw

-3.92

Polar Surface Area

78.668

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

L949-0080 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L949-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L949-0080?
Check Price and Availability of L949-0080, 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 L949-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L949-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L949-0080
  • 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 L949-0080 available by request