F065-4889 Screening compound: methyl 1-methyl-4-{[3-(morpholin-4-yl)-3-oxopropyl]sulfamoyl}-1H-pyrrole-2-carboxylate

F065-4889 Screening compound: methyl 1-methyl-4-{[3-(morpholin-4-yl)-3-oxopropyl]sulfamoyl}-1H-pyrrole-2-carboxylate
F065-4889 Screening compound: methyl 1-methyl-4-{[3-(morpholin-4-yl)-3-oxopropyl]sulfamoyl}-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F065-4889
methyl 1-methyl-4-{[3-(morpholin-4-yl)-3-oxopropyl]sulfamoyl}-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

F065-4889

Molecular Formula

C14H21N3O6S (C14 H21 N3 O6 S)

Compound Name

methyl 1-methyl-4-{[3-(morpholin-4-yl)-3-oxopropyl]sulfamoyl}-1H-pyrrole-2-carboxylate

IUPAC name

methyl 1-methyl-4-{[3-(morpholin-4-yl)-3-oxopropyl]sulfamoyl}-1H-pyrrole-2-carboxylate

SMILES

Cn1c(C(OC)=O)cc(S(NCCC(N2CCOCC2)=O)(=O)=O)c1

InChI

InChI=1S/C14H21N3O6S/c1-16-10-11(9-12(16)14(19)22-2)24(20,21)15-4-3-13(18)17-5-7-23-8-6-17/h9-10,15H,3-8H2,1-2H3

InChI Key

ZINZWTBFAWOEIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14939052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.811

Distribution Coefficient, logD

-0.811

Water Solubility, LogSw

-1.88

Polar Surface Area

89.623

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

F065-4889 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F065-4889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F065-4889?
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What is the minimum amount of F065-4889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F065-4889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F065-4889
  • 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 F065-4889 available by request