G798-0563 Screening compound: ethyl 4-({2-ethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

G798-0563 Screening compound: ethyl 4-({2-ethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
G798-0563 Screening compound: ethyl 4-({2-ethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G798-0563
ethyl 4-({2-ethyl-N-[(oxolan-2-yl)methyl]butanamido}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

G798-0563

Molecular Formula

C21H34N2O4 (C21 H34 N2 O4)

Compound Name

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

IUPAC name

ethyl 4-({2-ethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCC(CC)C(N(CC1OCCC1)Cc1c(C)[nH]c(C(OCC)=O)c1C)=O

InChI

InChI=1S/C21H34N2O4/c1-6-16(7-2)20(24)23(12-17-10-9-11-27-17)13-18-14(4)19(22-15(18)5)21(25)26-8-3/h16-17,22H,6-13H2,1-5H3/t17-/m1/s1

InChI Key

HMABRGCTVKTKDO-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27160377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.487

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-3.38

Polar Surface Area

56.839

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.40

G798-0563 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G798-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G798-0563?
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What is the minimum amount of G798-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G798-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G798-0563
  • 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 G798-0563 available by request