G800-0296 Screening compound: ethyl 3,5-dimethyl-4-({N-[(oxolan-2-yl)methyl]naphthalene-2-sulfonamido}methyl)-1H-pyrrole-2-carboxylate

G800-0296 Screening compound: ethyl 3,5-dimethyl-4-({N-[(oxolan-2-yl)methyl]naphthalene-2-sulfonamido}methyl)-1H-pyrrole-2-carboxylate
G800-0296 Screening compound: ethyl 3,5-dimethyl-4-({N-[(oxolan-2-yl)methyl]naphthalene-2-sulfonamido}methyl)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G800-0296
ethyl 3,5-dimethyl-4-({N-[(oxolan-2-yl)methyl]naphthalene-2-sulfonamido}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

G800-0296

Molecular Formula

C25H30N2O5S (C25 H30 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)c(CN(CC2OCCC2)S(c2cc3ccccc3cc2)(=O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C25H30N2O5S/c1-4-31-25(28)24-17(2)23(18(3)26-24)16-27(15-21-10-7-13-32-21)33(29,30)22-12-11-19-8-5-6-9-20(19)14-22/h5-6,8-9,11-12,14,21,26H,4,7,10,13,15-16H2,1-3H3/t21-/m1/s1

InChI Key

QGCQAAJGZJCORD-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD27160752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.362

Distribution Coefficient, logD

4.362

Water Solubility, LogSw

-4.49

Polar Surface Area

71.460

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

G800-0296 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 G800-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G800-0296?
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What is the minimum amount of G800-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G800-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G800-0296
  • 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 G800-0296 available by request