L821-1662 Screening compound: N-({5-[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl}methyl)cyclopropanecarboxamide

L821-1662 Screening compound: N-({5-[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl}methyl)cyclopropanecarboxamide
L821-1662 Screening compound: N-({5-[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl}methyl)cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L821-1662
N-({5-[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl}methyl)cyclopropanecarboxamide

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

L821-1662

Molecular Formula

C19H17N3O4S (C19 H17 N3 O4 S)

Compound Name

N-({5-[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl}methyl)cyclopropanecarboxamide

IUPAC name

N-({5-[5-(23-dihydro-14-benzodioxin-2-yl)-124-oxadiazol-3-yl]thiophen-2-yl}methyl)cyclopropanecarboxamide

SMILES

O=C(C1CC1)NCc1ccc(-c2noc(C3Oc(cccc4)c4OC3)n2)s1

InChI

InChI=1S/C19H17N3O4S/c23-18(11-5-6-11)20-9-12-7-8-16(27-12)17-21-19(26-22-17)15-10-24-13-3-1-2-4-14(13)25-15/h1-4,7-8,11,15H,5-6,9-10H2,(H,20,23)/t15-/m0/s1

InChI Key

DPANMCJPYUIVDS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27477457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.109

Distribution Coefficient, logD

4.109

Water Solubility, LogSw

-4.39

Polar Surface Area

73.036

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

L821-1662 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L821-1662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L821-1662?
Check Price and Availability of L821-1662, 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 L821-1662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L821-1662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L821-1662
  • 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 L821-1662 available by request