G070-0770 Screening compound: ethyl 2,5-dimethyl-4-({[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfamoyl)-1H-pyrrole-3-carboxylate

G070-0770 Screening compound: ethyl 2,5-dimethyl-4-({[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfamoyl)-1H-pyrrole-3-carboxylate
G070-0770 Screening compound: ethyl 2,5-dimethyl-4-({[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfamoyl)-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G070-0770
ethyl 2,5-dimethyl-4-({[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfamoyl)-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

G070-0770

Molecular Formula

C19H22N4O5S2 (C19 H22 N4 O5 S2)

Compound Name

ethyl 2,5-dimethyl-4-({[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfamoyl)-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 25-dimethyl-4-({[(6-methyl-13-benzothiazol-2-yl)carbamoyl]methyl}sulfamoyl)-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(C)c1S(NCC(Nc1nc(ccc(C)c2)c2s1)=O)(=O)=O)=O

InChI

InChI=1S/C19H22N4O5S2/c1-5-28-18(25)16-11(3)21-12(4)17(16)30(26,27)20-9-15(24)23-19-22-13-7-6-10(2)8-14(13)29-19/h6-8,20-21H,5,9H2,1-4H3,(H,22,23,24)

InChI Key

CVTIFBKWXYTZNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14978762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.997

Distribution Coefficient, logD

2.982

Water Solubility, LogSw

-3.34

Polar Surface Area

106.449

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G070-0770 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G070-0770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G070-0770?
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What is the minimum amount of G070-0770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G070-0770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G070-0770
  • 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 G070-0770 available by request