L839-1644 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide

L839-1644 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
L839-1644 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L839-1644
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide

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

L839-1644

Molecular Formula

C17H15N3O5S2 (C17 H15 N3 O5 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-(5-cyclopropyl-134-oxadiazol-2-yl)thiophene-2-sulfonamide

SMILES

O=S(c1cc(-c2nnc(C3CC3)o2)cs1)(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C17H15N3O5S2/c21-27(22,18-7-10-1-4-13-14(5-10)24-9-23-13)15-6-12(8-26-15)17-20-19-16(25-17)11-2-3-11/h1,4-6,8,11,18H,2-3,7,9H2

InChI Key

UHVMFHIOUWXHOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.076

Distribution Coefficient, logD

3.075

Water Solubility, LogSw

-3.39

Polar Surface Area

90.898

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

L839-1644 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L839-1644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L839-1644?
Check Price and Availability of L839-1644, 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 L839-1644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L839-1644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L839-1644
  • 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 L839-1644 available by request