L080-0408 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-{methyl[(4-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazole-5-carboxamide

L080-0408 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-{methyl[(4-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazole-5-carboxamide
L080-0408 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-{methyl[(4-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L080-0408
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-{methyl[(4-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazole-5-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

L080-0408

Molecular Formula

C22H23N5O5 (C22 H23 N5 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-{methyl[(4-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazole-5-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(2-{methyl[(4-methylphenyl)carbamoyl]amino}ethyl)-124-oxadiazole-5-carboxamide

SMILES

Cc(cc1)ccc1NC(N(C)CCc1noc(C(NCc(cc2)cc3c2OCO3)=O)n1)=O

InChI

InChI=1S/C22H23N5O5/c1-14-3-6-16(7-4-14)24-22(29)27(2)10-9-19-25-21(32-26-19)20(28)23-12-15-5-8-17-18(11-15)31-13-30-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,23,28)(H,24,29)

InChI Key

WHXMULWWKZCNLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.808

Distribution Coefficient, logD

2.808

Water Solubility, LogSw

-3.37

Polar Surface Area

99.656

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L080-0408 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L080-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L080-0408?
Check Price and Availability of L080-0408, 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 L080-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L080-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L080-0408
  • 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 L080-0408 available by request