L080-0102 Screening compound: N-[(4-chlorophenyl)methyl]-3-(2-{[(3-fluoro-4-methylphenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazole-5-carboxamide

L080-0102 Screening compound: N-[(4-chlorophenyl)methyl]-3-(2-{[(3-fluoro-4-methylphenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazole-5-carboxamide
L080-0102 Screening compound: N-[(4-chlorophenyl)methyl]-3-(2-{[(3-fluoro-4-methylphenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L080-0102
N-[(4-chlorophenyl)methyl]-3-(2-{[(3-fluoro-4-methylphenyl)carbamoyl](methyl)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

L080-0102

Molecular Formula

C21H21ClFN5O3 (C21 H21 ClFN5 O3)

Compound Name

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

IUPAC name

N-[(4-chlorophenyl)methyl]-3-(2-{[(3-fluoro-4-methylphenyl)carbamoyl](methyl)amino}ethyl)-124-oxadiazole-5-carboxamide

SMILES

Cc(ccc(NC(N(C)CCc1noc(C(NCc(cc2)ccc2Cl)=O)n1)=O)c1)c1F

InChI

InChI=1S/C21H21ClFN5O3/c1-13-3-8-16(11-17(13)23)25-21(30)28(2)10-9-18-26-20(31-27-18)19(29)24-12-14-4-6-15(22)7-5-14/h3-8,11H,9-10,12H2,1-2H3,(H,24,29)(H,25,30)

InChI Key

LPVFMRRXQWNEOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.716

Distribution Coefficient, logD

3.716

Water Solubility, LogSw

-4.33

Polar Surface Area

82.541

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with L080-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L080-0102?
Check Price and Availability of L080-0102, 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 L080-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L080-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L080-0102
  • 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 L080-0102 available by request