G799-0101 Screening compound: ethyl 4-({[(4-ethoxyphenyl)carbamoyl][(4-methoxyphenyl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

G799-0101 Screening compound: ethyl 4-({[(4-ethoxyphenyl)carbamoyl][(4-methoxyphenyl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
G799-0101 Screening compound: ethyl 4-({[(4-ethoxyphenyl)carbamoyl][(4-methoxyphenyl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G799-0101
ethyl 4-({[(4-ethoxyphenyl)carbamoyl][(4-methoxyphenyl)methyl]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

G799-0101

Molecular Formula

C27H33N3O5 (C27 H33 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)c(CN(Cc(cc2)ccc2OC)C(Nc(cc2)ccc2OCC)=O)c(C)[nH]1)=O

InChI

InChI=1S/C27H33N3O5/c1-6-34-23-14-10-21(11-15-23)29-27(32)30(16-20-8-12-22(33-5)13-9-20)17-24-18(3)25(28-19(24)4)26(31)35-7-2/h8-15,28H,6-7,16-17H2,1-5H3,(H,29,32)

InChI Key

CLDONGYZWPYGGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.983

Distribution Coefficient, logD

4.983

Water Solubility, LogSw

-4.56

Polar Surface Area

71.401

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G799-0101 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 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 G799-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G799-0101?
Check Price and Availability of G799-0101, 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 G799-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G799-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G799-0101
  • 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 G799-0101 available by request