F630-0544 Screening compound: 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide

F630-0544 Screening compound: 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
F630-0544 Screening compound: 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F630-0544
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-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

F630-0544

Molecular Formula

C17H15N3O5S2 (C17 H15 N3 O5 S2)

Compound Name

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide

IUPAC name

5-(5-cyclopropyl-134-oxadiazol-2-yl)-N-(23-dihydro-14-benzodioxin-6-yl)thiophene-2-sulfonamide

SMILES

O=S(c1ccc(-c2nnc(C3CC3)o2)s1)(Nc(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C17H15N3O5S2/c21-27(22,20-11-3-4-12-13(9-11)24-8-7-23-12)15-6-5-14(26-15)17-19-18-16(25-17)10-1-2-10/h3-6,9-10,20H,1-2,7-8H2

InChI Key

PRKPRLDPTXJNPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27180220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.591

Distribution Coefficient, logD

2.552

Water Solubility, LogSw

-3.08

Polar Surface Area

88.497

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

F630-0544 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 F630-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F630-0544?
Check Price and Availability of F630-0544, 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 F630-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F630-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F630-0544
  • 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 F630-0544 available by request