5591-2036 Screening compound: butyl 2-methyl-5-(thiophene-2-sulfonamido)naphtho[1,2-b]furan-3-carboxylate

5591-2036 Screening compound: butyl 2-methyl-5-(thiophene-2-sulfonamido)naphtho[1,2-b]furan-3-carboxylate
5591-2036 Screening compound: butyl 2-methyl-5-(thiophene-2-sulfonamido)naphtho[1,2-b]furan-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-2036
butyl 2-methyl-5-(thiophene-2-sulfonamido)naphtho[1,2-b]furan-3-carboxylate

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

5591-2036

Molecular Formula

C22H21NO5S2 (C22 H21 NO5 S2)

Compound Name

butyl 2-methyl-5-(thiophene-2-sulfonamido)naphtho[1,2-b]furan-3-carboxylate

IUPAC name

butyl 2-methyl-5-(thiophene-2-sulfonamido)naphtho[12-b]furan-3-carboxylate

SMILES

CCCCOC(c1c(C)oc(c2ccccc22)c1cc2NS(c1cccs1)(=O)=O)=O

InChI

InChI=1S/C22H21NO5S2/c1-3-4-11-27-22(24)20-14(2)28-21-16-9-6-5-8-15(16)18(13-17(20)21)23-30(25,26)19-10-7-12-29-19/h5-10,12-13,23H,3-4,11H2,1-2H3

InChI Key

PVHIVEJPFMDISM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03471176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.467

Distribution Coefficient, logD

5.465

Water Solubility, LogSw

-5.62

Polar Surface Area

70.165

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

-9.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

5591-2036 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 5591-2036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-2036?
Check Price and Availability of 5591-2036, 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 5591-2036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-2036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-2036
  • 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 5591-2036 available by request