G799-0123 Screening compound: ethyl 4-({[(4-methoxyphenyl)methyl]({[(4-methylphenyl)methyl]carbamoyl})amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

G799-0123 Screening compound: ethyl 4-({[(4-methoxyphenyl)methyl]({[(4-methylphenyl)methyl]carbamoyl})amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
G799-0123 Screening compound: ethyl 4-({[(4-methoxyphenyl)methyl]({[(4-methylphenyl)methyl]carbamoyl})amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G799-0123
ethyl 4-({[(4-methoxyphenyl)methyl]({[(4-methylphenyl)methyl]carbamoyl})amino}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

G799-0123

Molecular Formula

C27H33N3O4 (C27 H33 N3 O4)

Compound Name

ethyl 4-({[(4-methoxyphenyl)methyl]({[(4-methylphenyl)methyl]carbamoyl})amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-({[(4-methoxyphenyl)methyl]({[(4-methylphenyl)methyl]carbamoyl})amino}methyl)-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CN(Cc(cc2)ccc2OC)C(NCc2ccc(C)cc2)=O)c(C)[nH]1)=O

InChI

InChI=1S/C27H33N3O4/c1-6-34-26(31)25-19(3)24(20(4)29-25)17-30(16-22-11-13-23(33-5)14-12-22)27(32)28-15-21-9-7-18(2)8-10-21/h7-14,29H,6,15-17H2,1-5H3,(H,28,32)

InChI Key

CNMQXQKSNPVHJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.665

Distribution Coefficient, logD

4.665

Water Solubility, LogSw

-4.29

Polar Surface Area

65.600

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G799-0123 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G799-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G799-0123?
Check Price and Availability of G799-0123, 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 G799-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G799-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G799-0123
  • 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 G799-0123 available by request