G798-0906 Screening compound: methyl 4-({1-[2-chloro-5-(methylsulfanyl)phenyl]-N-methylformamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

G798-0906 Screening compound: methyl 4-({1-[2-chloro-5-(methylsulfanyl)phenyl]-N-methylformamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
G798-0906 Screening compound: methyl 4-({1-[2-chloro-5-(methylsulfanyl)phenyl]-N-methylformamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G798-0906
methyl 4-({1-[2-chloro-5-(methylsulfanyl)phenyl]-N-methylformamido}methyl)-3,5-dimethyl-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

G798-0906

Molecular Formula

C18H21ClN2O3S (C18 H21 ClN2 O3 S)

Compound Name

methyl 4-({1-[2-chloro-5-(methylsulfanyl)phenyl]-N-methylformamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

methyl 4-({1-[2-chloro-5-(methylsulfanyl)phenyl]-N-methylformamido}methyl)-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

Cc1c(C(OC)=O)[nH]c(C)c1CN(C)C(c(cc(cc1)SC)c1Cl)=O

InChI

InChI=1S/C18H21ClN2O3S/c1-10-14(11(2)20-16(10)18(23)24-4)9-21(3)17(22)13-8-12(25-5)6-7-15(13)19/h6-8,20H,9H2,1-5H3

InChI Key

FDGYHFYGJFIJNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.738

Distribution Coefficient, logD

3.738

Water Solubility, LogSw

-4.21

Polar Surface Area

48.544

Acid Dissociation Constant (pKa)

16.39

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G798-0906 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with G798-0906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G798-0906?
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What is the minimum amount of G798-0906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G798-0906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G798-0906
  • 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 G798-0906 available by request