D630-0080 Screening compound: N-[2-(4-fluorophenyl)-2-(thiophene-2-sulfonyl)ethyl]-2H-1,3-benzodioxole-5-sulfonamide

D630-0080 Screening compound: N-[2-(4-fluorophenyl)-2-(thiophene-2-sulfonyl)ethyl]-2H-1,3-benzodioxole-5-sulfonamide
D630-0080 Screening compound: N-[2-(4-fluorophenyl)-2-(thiophene-2-sulfonyl)ethyl]-2H-1,3-benzodioxole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D630-0080
N-[2-(4-fluorophenyl)-2-(thiophene-2-sulfonyl)ethyl]-2H-1,3-benzodioxole-5-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

D630-0080

Molecular Formula

C19H16FNO6S3 (C19 H16 FNO6 S3)

Compound Name

N-[2-(4-fluorophenyl)-2-(thiophene-2-sulfonyl)ethyl]-2H-1,3-benzodioxole-5-sulfonamide

IUPAC name

N-[2-(4-fluorophenyl)-2-(thiophene-2-sulfonyl)ethyl]-2H-13-benzodioxole-5-sulfonamide

SMILES

O=S(C(CNS(c(cc1)cc2c1OCO2)(=O)=O)c(cc1)ccc1F)(c1cccs1)=O

InChI

InChI=1S/C19H16FNO6S3/c20-14-5-3-13(4-6-14)18(29(22,23)19-2-1-9-28-19)11-21-30(24,25)15-7-8-16-17(10-15)27-12-26-16/h1-10,18,21H,11-12H2/t18-/m0/s1

InChI Key

RUBZABGGZBBVRR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD08661100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.499

Distribution Coefficient, logD

3.499

Water Solubility, LogSw

-3.73

Polar Surface Area

89.631

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-6.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

D630-0080 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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
  • 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 D630-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D630-0080?
Check Price and Availability of D630-0080, 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 D630-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D630-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D630-0080
  • 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 D630-0080 available by request