G800-0492 Screening compound: ethyl 4-({N-[(2H-1,3-benzodioxol-5-yl)methyl]2,4-dimethylbenzenesulfonamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

G800-0492 Screening compound: ethyl 4-({N-[(2H-1,3-benzodioxol-5-yl)methyl]2,4-dimethylbenzenesulfonamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
G800-0492 Screening compound: ethyl 4-({N-[(2H-1,3-benzodioxol-5-yl)methyl]2,4-dimethylbenzenesulfonamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G800-0492
ethyl 4-({N-[(2H-1,3-benzodioxol-5-yl)methyl]2,4-dimethylbenzenesulfonamido}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

G800-0492

Molecular Formula

C26H30N2O6S (C26 H30 N2 O6 S)

Compound Name

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

IUPAC name

ethyl 4-({N-[(2H-13-benzodioxol-5-yl)methyl]24-dimethylbenzenesulfonamido}methyl)-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CN(Cc(cc2)cc3c2OCO3)S(c2c(C)cc(C)cc2)(=O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C26H30N2O6S/c1-6-32-26(29)25-18(4)21(19(5)27-25)14-28(13-20-8-9-22-23(12-20)34-15-33-22)35(30,31)24-10-7-16(2)11-17(24)3/h7-12,27H,6,13-15H2,1-5H3

InChI Key

XJUAMVDRYHTFHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.383

Distribution Coefficient, logD

5.383

Water Solubility, LogSw

-5.29

Polar Surface Area

80.193

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with G800-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G800-0492?
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What is the minimum amount of G800-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G800-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G800-0492
  • 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 G800-0492 available by request