G070-0494 Screening compound: ethyl 4-({[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]methyl}(methyl)sulfamoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate

G070-0494 Screening compound: ethyl 4-({[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]methyl}(methyl)sulfamoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
G070-0494 Screening compound: ethyl 4-({[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]methyl}(methyl)sulfamoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G070-0494
ethyl 4-({[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]methyl}(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

G070-0494

Molecular Formula

C19H21ClN4O5S2 (C19 H21 ClN4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H21ClN4O5S2/c1-5-29-18(26)16-10(2)21-11(3)17(16)31(27,28)24(4)9-15(25)23-19-22-13-7-6-12(20)8-14(13)30-19/h6-8,21H,5,9H2,1-4H3,(H,22,23,25)

InChI Key

VTUBDVLBVCSBQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14978648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.98

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.555

Distribution Coefficient, logD

3.552

Water Solubility, LogSw

-4.48

Polar Surface Area

97.255

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G070-0494 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G070-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G070-0494?
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What is the minimum amount of G070-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G070-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G070-0494
  • 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 G070-0494 available by request