L957-0061 Screening compound: 1-{5-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole-2-carbonyl}azepane

L957-0061 Screening compound: 1-{5-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole-2-carbonyl}azepane
L957-0061 Screening compound: 1-{5-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole-2-carbonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound L957-0061
1-{5-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole-2-carbonyl}azepane

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

L957-0061

Molecular Formula

C19H24N4O4S (C19 H24 N4 O4 S)

Compound Name

1-{5-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3,4-oxadiazole-2-carbonyl}azepane

IUPAC name

1-{5-[4-(pyrrolidine-1-sulfonyl)phenyl]-134-oxadiazole-2-carbonyl}azepane

SMILES

O=C(c1nnc(-c(cc2)ccc2S(N2CCCC2)(=O)=O)o1)N1CCCCCC1

InChI

InChI=1S/C19H24N4O4S/c24-19(22-11-3-1-2-4-12-22)18-21-20-17(27-18)15-7-9-16(10-8-15)28(25,26)23-13-5-6-14-23/h7-10H,1-6,11-14H2

InChI Key

AOAUOAGVKWUYSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15137695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

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

2.317

Distribution Coefficient, logD

2.317

Water Solubility, LogSw

-2.58

Polar Surface Area

79.810

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

L957-0061 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L957-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L957-0061?
Check Price and Availability of L957-0061, 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 L957-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L957-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L957-0061
  • 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 L957-0061 available by request