D630-0066 Screening compound: N-[2-(4-fluorophenyl)-2-(thiophene-2-sulfonyl)ethyl]-2,5-dimethylbenzene-1-sulfonamide

D630-0066 Screening compound: N-[2-(4-fluorophenyl)-2-(thiophene-2-sulfonyl)ethyl]-2,5-dimethylbenzene-1-sulfonamide
D630-0066 Screening compound: N-[2-(4-fluorophenyl)-2-(thiophene-2-sulfonyl)ethyl]-2,5-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D630-0066
N-[2-(4-fluorophenyl)-2-(thiophene-2-sulfonyl)ethyl]-2,5-dimethylbenzene-1-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

D630-0066

Molecular Formula

C20H20FNO4S3 (C20 H20 FNO4 S3)

Compound Name

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

IUPAC name

N-[2-(4-fluorophenyl)-2-(thiophene-2-sulfonyl)ethyl]-25-dimethylbenzene-1-sulfonamide

SMILES

Cc1cc(S(NCC(c(cc2)ccc2F)S(c2cccs2)(=O)=O)(=O)=O)c(C)cc1

InChI

InChI=1S/C20H20FNO4S3/c1-14-5-6-15(2)18(12-14)29(25,26)22-13-19(16-7-9-17(21)10-8-16)28(23,24)20-4-3-11-27-20/h3-12,19,22H,13H2,1-2H3/t19-/m0/s1

InChI Key

OKDHCZFAZAONNV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD08661091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.422

Distribution Coefficient, logD

4.422

Water Solubility, LogSw

-4.20

Polar Surface Area

72.516

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-7.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D630-0066 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 D630-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D630-0066?
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What is the minimum amount of D630-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D630-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D630-0066
  • 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 D630-0066 available by request