D630-0081 Screening compound: N-[2-(4-fluorophenyl)-2-(thiophene-2-sulfonyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

D630-0081 Screening compound: N-[2-(4-fluorophenyl)-2-(thiophene-2-sulfonyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
D630-0081 Screening compound: N-[2-(4-fluorophenyl)-2-(thiophene-2-sulfonyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D630-0081
N-[2-(4-fluorophenyl)-2-(thiophene-2-sulfonyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-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

D630-0081

Molecular Formula

C20H18FNO6S3 (C20 H18 FNO6 S3)

Compound Name

N-[2-(4-fluorophenyl)-2-(thiophene-2-sulfonyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

IUPAC name

N-[2-(4-fluorophenyl)-2-(thiophene-2-sulfonyl)ethyl]-23-dihydro-14-benzodioxine-6-sulfonamide

SMILES

O=S(C(CNS(c(cc1)cc2c1OCCO2)(=O)=O)c(cc1)ccc1F)(c1cccs1)=O

InChI

InChI=1S/C20H18FNO6S3/c21-15-5-3-14(4-6-15)19(30(23,24)20-2-1-11-29-20)13-22-31(25,26)16-7-8-17-18(12-16)28-10-9-27-17/h1-8,11-12,19,22H,9-10,13H2/t19-/m0/s1

InChI Key

NIHOMLDGZJHVAY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD08661101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.56

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

2.639

Distribution Coefficient, logD

2.639

Water Solubility, LogSw

-3.00

Polar Surface Area

88.339

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-6.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D630-0081 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 D630-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D630-0081?
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What is the minimum amount of D630-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D630-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D630-0081
  • 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 D630-0081 available by request