D630-0044 Screening compound: 1-acetyl-N-[2-phenyl-2-(thiophene-2-sulfonyl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide

D630-0044 Screening compound: 1-acetyl-N-[2-phenyl-2-(thiophene-2-sulfonyl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
D630-0044 Screening compound: 1-acetyl-N-[2-phenyl-2-(thiophene-2-sulfonyl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D630-0044
1-acetyl-N-[2-phenyl-2-(thiophene-2-sulfonyl)ethyl]-2,3-dihydro-1H-indole-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

D630-0044

Molecular Formula

C22H22N2O5S3 (C22 H22 N2 O5 S3)

Compound Name

1-acetyl-N-[2-phenyl-2-(thiophene-2-sulfonyl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

1-acetyl-N-[2-phenyl-2-(thiophene-2-sulfonyl)ethyl]-23-dihydro-1H-indole-5-sulfonamide

SMILES

CC(N(CC1)c(cc2)c1cc2S(NCC(c1ccccc1)S(c1cccs1)(=O)=O)(=O)=O)=O

InChI

InChI=1S/C22H22N2O5S3/c1-16(25)24-12-11-18-14-19(9-10-20(18)24)32(28,29)23-15-21(17-6-3-2-4-7-17)31(26,27)22-8-5-13-30-22/h2-10,13-14,21,23H,11-12,15H2,1H3/t21-/m0/s1

InChI Key

XWCZJBRJCOXEEW-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15142465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.022

Distribution Coefficient, logD

3.022

Water Solubility, LogSw

-3.60

Polar Surface Area

88.934

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

D630-0044 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Others
  • GPCR
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D630-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D630-0044?
Check Price and Availability of D630-0044, 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 D630-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D630-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D630-0044
  • 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 D630-0044 available by request