D630-0042 Screening compound: 4-methoxy-2,6-dimethyl-N-[2-phenyl-2-(thiophene-2-sulfonyl)ethyl]benzene-1-sulfonamide

D630-0042 Screening compound: 4-methoxy-2,6-dimethyl-N-[2-phenyl-2-(thiophene-2-sulfonyl)ethyl]benzene-1-sulfonamide
D630-0042 Screening compound: 4-methoxy-2,6-dimethyl-N-[2-phenyl-2-(thiophene-2-sulfonyl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D630-0042
4-methoxy-2,6-dimethyl-N-[2-phenyl-2-(thiophene-2-sulfonyl)ethyl]benzene-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

D630-0042

Molecular Formula

C21H23NO5S3 (C21 H23 NO5 S3)

Compound Name

4-methoxy-2,6-dimethyl-N-[2-phenyl-2-(thiophene-2-sulfonyl)ethyl]benzene-1-sulfonamide

IUPAC name

4-methoxy-26-dimethyl-N-[2-phenyl-2-(thiophene-2-sulfonyl)ethyl]benzene-1-sulfonamide

SMILES

Cc1cc(OC)cc(C)c1S(NCC(c1ccccc1)S(c1cccs1)(=O)=O)(=O)=O

InChI

InChI=1S/C21H23NO5S3/c1-15-12-18(27-3)13-16(2)21(15)30(25,26)22-14-19(17-8-5-4-6-9-17)29(23,24)20-10-7-11-28-20/h4-13,19,22H,14H2,1-3H3/t19-/m0/s1

InChI Key

KILHBZDQGHQAPL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15142463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.366

Distribution Coefficient, logD

4.365

Water Solubility, LogSw

-4.36

Polar Surface Area

80.060

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

-8.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

D630-0042 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 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:
  • Immune system
  • 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 D630-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D630-0042?
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What is the minimum amount of D630-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D630-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D630-0042
  • 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 D630-0042 available by request