L422-0821 Screening compound: 5-{[4-(3-chlorobenzamido)phenoxy]methyl}-N-[(oxolan-2-yl)methyl]-1,2-oxazole-3-carboxamide

L422-0821 Screening compound: 5-{[4-(3-chlorobenzamido)phenoxy]methyl}-N-[(oxolan-2-yl)methyl]-1,2-oxazole-3-carboxamide
L422-0821 Screening compound: 5-{[4-(3-chlorobenzamido)phenoxy]methyl}-N-[(oxolan-2-yl)methyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L422-0821
5-{[4-(3-chlorobenzamido)phenoxy]methyl}-N-[(oxolan-2-yl)methyl]-1,2-oxazole-3-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

L422-0821

Molecular Formula

C23H22ClN3O5 (C23 H22 ClN3 O5)

Compound Name

5-{[4-(3-chlorobenzamido)phenoxy]methyl}-N-[(oxolan-2-yl)methyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-{[4-(3-chlorobenzamido)phenoxy]methyl}-N-[(oxolan-2-yl)methyl]-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(COc(cc2)ccc2NC(c2cccc(Cl)c2)=O)c1)NCC1OCCC1

InChI

InChI=1S/C23H22ClN3O5/c24-16-4-1-3-15(11-16)22(28)26-17-6-8-18(9-7-17)31-14-20-12-21(27-32-20)23(29)25-13-19-5-2-10-30-19/h1,3-4,6-9,11-12,19H,2,5,10,13-14H2,(H,25,29)(H,26,28)/t19-/m1/s1

InChI Key

LGAQKIGYYVCUPM-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27642701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.503

Distribution Coefficient, logD

3.502

Water Solubility, LogSw

-3.94

Polar Surface Area

84.602

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

L422-0821 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with L422-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L422-0821?
Check Price and Availability of L422-0821, 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 L422-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L422-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L422-0821
  • 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 L422-0821 available by request