F065-3634 Screening compound: methyl 4-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}(methyl)sulfamoyl)-1-methyl-1H-pyrrole-2-carboxylate

F065-3634 Screening compound: methyl 4-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}(methyl)sulfamoyl)-1-methyl-1H-pyrrole-2-carboxylate
F065-3634 Screening compound: methyl 4-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}(methyl)sulfamoyl)-1-methyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F065-3634
methyl 4-({[(2H-1,3-benzodioxol-5-yl)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

F065-3634

Molecular Formula

C17H19N3O7S (C17 H19 N3 O7 S)

Compound Name

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

IUPAC name

methyl 4-({[(2H-13-benzodioxol-5-yl)carbamoyl]methyl}(methyl)sulfamoyl)-1-methyl-1H-pyrrole-2-carboxylate

SMILES

CN(CC(Nc(cc1)cc2c1OCO2)=O)S(c1cn(C)c(C(OC)=O)c1)(=O)=O

InChI

InChI=1S/C17H19N3O7S/c1-19-8-12(7-13(19)17(22)25-3)28(23,24)20(2)9-16(21)18-11-4-5-14-15(6-11)27-10-26-14/h4-8H,9-10H2,1-3H3,(H,18,21)

InChI Key

PXIJTVGDQTYOQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14938888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.42

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.104

Distribution Coefficient, logD

1.104

Water Solubility, LogSw

-2.52

Polar Surface Area

96.551

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

F065-3634 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F065-3634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F065-3634?
Check Price and Availability of F065-3634, 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 F065-3634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F065-3634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F065-3634
  • 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 F065-3634 available by request