F065-4405 Screening compound: ethyl 4-({[(3,5-dimethylphenyl)carbamoyl]methyl}(methyl)sulfamoyl)-1-methyl-1H-pyrrole-2-carboxylate

F065-4405 Screening compound: ethyl 4-({[(3,5-dimethylphenyl)carbamoyl]methyl}(methyl)sulfamoyl)-1-methyl-1H-pyrrole-2-carboxylate
F065-4405 Screening compound: ethyl 4-({[(3,5-dimethylphenyl)carbamoyl]methyl}(methyl)sulfamoyl)-1-methyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F065-4405
ethyl 4-({[(3,5-dimethylphenyl)carbamoyl]methyl}(methyl)sulfamoyl)-1-methyl-1H-pyrrole-2-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

F065-4405

Molecular Formula

C19H25N3O5S (C19 H25 N3 O5 S)

Compound Name

ethyl 4-({[(3,5-dimethylphenyl)carbamoyl]methyl}(methyl)sulfamoyl)-1-methyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-({[(35-dimethylphenyl)carbamoyl]methyl}(methyl)sulfamoyl)-1-methyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1cc(S(N(C)CC(Nc2cc(C)cc(C)c2)=O)(=O)=O)cn1C)=O

InChI

InChI=1S/C19H25N3O5S/c1-6-27-19(24)17-10-16(11-21(17)4)28(25,26)22(5)12-18(23)20-15-8-13(2)7-14(3)9-15/h7-11H,6,12H2,1-5H3,(H,20,23)

InChI Key

SGIYEXXDSRQQMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14938968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.419

Distribution Coefficient, logD

2.419

Water Solubility, LogSw

-2.76

Polar Surface Area

79.016

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

F065-4405 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 F065-4405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F065-4405?
Check Price and Availability of F065-4405, 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 F065-4405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F065-4405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F065-4405
  • 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 F065-4405 available by request