G799-0063 Screening compound: ethyl 3,5-dimethyl-4-({[(4-methylphenyl)methyl]({[(oxolan-2-yl)methyl]carbamoyl})amino}methyl)-1H-pyrrole-2-carboxylate

G799-0063 Screening compound: ethyl 3,5-dimethyl-4-({[(4-methylphenyl)methyl]({[(oxolan-2-yl)methyl]carbamoyl})amino}methyl)-1H-pyrrole-2-carboxylate
G799-0063 Screening compound: ethyl 3,5-dimethyl-4-({[(4-methylphenyl)methyl]({[(oxolan-2-yl)methyl]carbamoyl})amino}methyl)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G799-0063
ethyl 3,5-dimethyl-4-({[(4-methylphenyl)methyl]({[(oxolan-2-yl)methyl]carbamoyl})amino}methyl)-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

G799-0063

Molecular Formula

C24H33N3O4 (C24 H33 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)c(CN(Cc2ccc(C)cc2)C(NCC2OCCC2)=O)c(C)[nH]1)=O

InChI

InChI=1S/C24H33N3O4/c1-5-30-23(28)22-17(3)21(18(4)26-22)15-27(14-19-10-8-16(2)9-11-19)24(29)25-13-20-7-6-12-31-20/h8-11,20,26H,5-7,12-15H2,1-4H3,(H,25,29)/t20-/m1/s1

InChI Key

JQVXANOMYGSQPO-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD27160513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.428

Distribution Coefficient, logD

3.428

Water Solubility, LogSw

-3.37

Polar Surface Area

66.710

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

G799-0063 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G799-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G799-0063?
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What is the minimum amount of G799-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G799-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G799-0063
  • 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 G799-0063 available by request