L840-0213 Screening compound: 4-({4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)morpholine

L840-0213 Screening compound: 4-({4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)morpholine
L840-0213 Screening compound: 4-({4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound L840-0213
4-({4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)morpholine

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

L840-0213

Molecular Formula

C15H18N4O5S2 (C15 H18 N4 O5 S2)

Compound Name

4-({4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)morpholine

IUPAC name

4-({4-[5-(pyrrolidine-1-carbonyl)-134-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)morpholine

SMILES

O=C(c1nnc(-c2csc(S(N3CCOCC3)(=O)=O)c2)o1)N1CCCC1

InChI

InChI=1S/C15H18N4O5S2/c20-15(18-3-1-2-4-18)14-17-16-13(24-14)11-9-12(25-10-11)26(21,22)19-5-7-23-8-6-19/h9-10H,1-8H2

InChI Key

UDEOOZLRZBNTDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.650

Distribution Coefficient, logD

0.650

Water Solubility, LogSw

-1.74

Polar Surface Area

88.406

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.33

L840-0213 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L840-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L840-0213?
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What is the minimum amount of L840-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L840-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L840-0213
  • 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 L840-0213 available by request