L840-0071 Screening compound: 4-methyl-1-({4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)piperidine

L840-0071 Screening compound: 4-methyl-1-({4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)piperidine
L840-0071 Screening compound: 4-methyl-1-({4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound L840-0071
4-methyl-1-({4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}sulfonyl)piperidine

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

L840-0071

Molecular Formula

C17H22N4O4S2 (C17 H22 N4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1S(c1cc(-c2nnc(C(N3CCCC3)=O)o2)cs1)(=O)=O

InChI

InChI=1S/C17H22N4O4S2/c1-12-4-8-21(9-5-12)27(23,24)14-10-13(11-26-14)15-18-19-16(25-15)17(22)20-6-2-3-7-20/h10-12H,2-9H2,1H3

InChI Key

QHUCSFQKBYGFCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.114

Distribution Coefficient, logD

2.114

Water Solubility, LogSw

-2.35

Polar Surface Area

80.498

Acid Dissociation Constant (pKa)

26.32

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

L840-0071 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with L840-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L840-0071?
Check Price and Availability of L840-0071, 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 L840-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L840-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L840-0071
  • 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 L840-0071 available by request