G726-1358 Screening compound: ethyl 5-{2-[(2-benzyl-2,3-dihydro-1H-isoindol-5-yl)carbamoyl]ethyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate

G726-1358 Screening compound: ethyl 5-{2-[(2-benzyl-2,3-dihydro-1H-isoindol-5-yl)carbamoyl]ethyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
G726-1358 Screening compound: ethyl 5-{2-[(2-benzyl-2,3-dihydro-1H-isoindol-5-yl)carbamoyl]ethyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G726-1358
ethyl 5-{2-[(2-benzyl-2,3-dihydro-1H-isoindol-5-yl)carbamoyl]ethyl}-2,4-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

G726-1358

Molecular Formula

C27H31N3O3 (C27 H31 N3 O3)

Compound Name

ethyl 5-{2-[(2-benzyl-2,3-dihydro-1H-isoindol-5-yl)carbamoyl]ethyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 5-{2-[(2-benzyl-23-dihydro-1H-isoindol-5-yl)carbamoyl]ethyl}-24-dimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(CCC(Nc2cc(CN(Cc3ccccc3)C3)c3cc2)=O)c1C)=O

InChI

InChI=1S/C27H31N3O3/c1-4-33-27(32)26-18(2)24(28-19(26)3)12-13-25(31)29-23-11-10-21-16-30(17-22(21)14-23)15-20-8-6-5-7-9-20/h5-11,14,28H,4,12-13,15-17H2,1-3H3,(H,29,31)

InChI Key

QVROVGCXYINECL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27154446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.091

Distribution Coefficient, logD

-0.631

Water Solubility, LogSw

-4.23

Polar Surface Area

59.041

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

11.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G726-1358 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Immune system
  • animal
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with G726-1358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G726-1358?
Check Price and Availability of G726-1358, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G726-1358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G726-1358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G726-1358
  • 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 G726-1358 available by request