5591-2053 Screening compound: 4-[N-(phenoxycarbonyl)thiophene-2-sulfonamido]phenyl phenyl carbonate

5591-2053 Screening compound: 4-[N-(phenoxycarbonyl)thiophene-2-sulfonamido]phenyl phenyl carbonate
5591-2053 Screening compound: 4-[N-(phenoxycarbonyl)thiophene-2-sulfonamido]phenyl phenyl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-2053
4-[N-(phenoxycarbonyl)thiophene-2-sulfonamido]phenyl phenyl carbonate

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

5591-2053

Molecular Formula

C24H17NO7S2 (C24 H17 NO7 S2)

Compound Name

4-[N-(phenoxycarbonyl)thiophene-2-sulfonamido]phenyl phenyl carbonate

IUPAC name

4-[N-(phenoxycarbonyl)thiophene-2-sulfonamido]phenyl phenyl carbonate

SMILES

O=C(N(c(cc1)ccc1OC(Oc1ccccc1)=O)S(c1cccs1)(=O)=O)Oc1ccccc1

InChI

InChI=1S/C24H17NO7S2/c26-23(30-19-8-3-1-4-9-19)25(34(28,29)22-12-7-17-33-22)18-13-15-21(16-14-18)32-24(27)31-20-10-5-2-6-11-20/h1-17H

InChI Key

UTRFCFLFLPVNFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.785

Distribution Coefficient, logD

4.785

Water Solubility, LogSw

-4.90

Polar Surface Area

80.902

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-13.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5591-2053 in Drug Discovery

Included in Screening Libraries

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
  • 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 5591-2053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-2053?
Check Price and Availability of 5591-2053, 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 5591-2053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-2053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-2053
  • 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 5591-2053 available by request