G070-0418 Screening compound: ethyl 4-{[[2-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)-2-oxoethyl](methyl)amino]sulfonyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate

G070-0418 Screening compound: ethyl 4-{[[2-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)-2-oxoethyl](methyl)amino]sulfonyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
G070-0418 Screening compound: ethyl 4-{[[2-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)-2-oxoethyl](methyl)amino]sulfonyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G070-0418
ethyl 4-{[[2-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)-2-oxoethyl](methyl)amino]sulfonyl}-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

G070-0418

Molecular Formula

C21H25N5O5S (C21 H25 N5 O5 S)

Compound Name

ethyl 4-{[[2-(2,3-dihydro-1H-imidazo[1,2-a][1,3]benzimidazol-1-yl)-2-oxoethyl](methyl)amino]sulfonyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 25-dimethyl-4-[methyl(2-oxo-2-{257-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-5-yl}ethyl)sulfamoyl]-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(C)c1S(N(C)CC(N1c2nc(cccc3)c3n2CC1)=O)(=O)=O)=O

InChI

InChI=1S/C21H25N5O5S/c1-5-31-20(28)18-13(2)22-14(3)19(18)32(29,30)24(4)12-17(27)26-11-10-25-16-9-7-6-8-15(16)23-21(25)26/h6-9,22H,5,10-12H2,1-4H3

InChI Key

DFSDFGYICRCUEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14978615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.976

Distribution Coefficient, logD

1.786

Water Solubility, LogSw

-2.49

Polar Surface Area

89.695

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G070-0418 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G070-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G070-0418?
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What is the minimum amount of G070-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G070-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G070-0418
  • 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 G070-0418 available by request