G070-0651 Screening compound: ethyl 4-{[(tert-butylcarbamoyl)methyl]sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate

G070-0651 Screening compound: ethyl 4-{[(tert-butylcarbamoyl)methyl]sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
G070-0651 Screening compound: ethyl 4-{[(tert-butylcarbamoyl)methyl]sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G070-0651
ethyl 4-{[(tert-butylcarbamoyl)methyl]sulfamoyl}-2,5-dimethyl-1H-pyrrole-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

G070-0651

Molecular Formula

C15H25N3O5S (C15 H25 N3 O5 S)

Compound Name

ethyl 4-{[(tert-butylcarbamoyl)methyl]sulfamoyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 4-{[(tert-butylcarbamoyl)methyl]sulfamoyl}-25-dimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(C)c1S(NCC(NC(C)(C)C)=O)(=O)=O)=O

InChI

InChI=1S/C15H25N3O5S/c1-7-23-14(20)12-9(2)17-10(3)13(12)24(21,22)16-8-11(19)18-15(4,5)6/h16-17H,7-8H2,1-6H3,(H,18,19)

InChI Key

YFUFPEIRHXMXSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14978707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.249

Distribution Coefficient, logD

1.247

Water Solubility, LogSw

-1.79

Polar Surface Area

97.105

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

G070-0651 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 G070-0651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G070-0651?
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What is the minimum amount of G070-0651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G070-0651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G070-0651
  • 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 G070-0651 available by request