G799-0009 Screening compound: ethyl 4-({[(2,3-dimethylphenyl)carbamoyl][(4-methylphenyl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

G799-0009 Screening compound: ethyl 4-({[(2,3-dimethylphenyl)carbamoyl][(4-methylphenyl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
G799-0009 Screening compound: ethyl 4-({[(2,3-dimethylphenyl)carbamoyl][(4-methylphenyl)methyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G799-0009
ethyl 4-({[(2,3-dimethylphenyl)carbamoyl][(4-methylphenyl)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

G799-0009

Molecular Formula

C27H33N3O3 (C27 H33 N3 O3)

Compound Name

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

IUPAC name

ethyl 4-({[(23-dimethylphenyl)carbamoyl][(4-methylphenyl)methyl]amino}methyl)-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CN(Cc2ccc(C)cc2)C(Nc2c(C)c(C)ccc2)=O)c(C)[nH]1)=O

InChI

InChI=1S/C27H33N3O3/c1-7-33-26(31)25-20(5)23(21(6)28-25)16-30(15-22-13-11-17(2)12-14-22)27(32)29-24-10-8-9-18(3)19(24)4/h8-14,28H,7,15-16H2,1-6H3,(H,29,32)

InChI Key

KNHBCEDZWKFKBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.082

Distribution Coefficient, logD

6.082

Water Solubility, LogSw

-5.45

Polar Surface Area

56.036

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with G799-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G799-0009?
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What is the minimum amount of G799-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G799-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G799-0009
  • 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 G799-0009 available by request