L769-0045 Screening compound: ethyl 5-({N-[(4-methoxyphenyl)methyl]3-methylbenzenesulfonamido}methyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate

L769-0045 Screening compound: ethyl 5-({N-[(4-methoxyphenyl)methyl]3-methylbenzenesulfonamido}methyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate
L769-0045 Screening compound: ethyl 5-({N-[(4-methoxyphenyl)methyl]3-methylbenzenesulfonamido}methyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L769-0045
ethyl 5-({N-[(4-methoxyphenyl)methyl]3-methylbenzenesulfonamido}methyl)-3,4-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

L769-0045

Molecular Formula

C25H30N2O5S (C25 H30 N2 O5 S)

Compound Name

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

IUPAC name

ethyl 5-({N-[(4-methoxyphenyl)methyl]3-methylbenzenesulfonamido}methyl)-34-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(C)c(CN(Cc(cc2)ccc2OC)S(c2cc(C)ccc2)(=O)=O)[nH]1)=O

InChI

InChI=1S/C25H30N2O5S/c1-6-32-25(28)24-19(4)18(3)23(26-24)16-27(15-20-10-12-21(31-5)13-11-20)33(29,30)22-9-7-8-17(2)14-22/h7-14,26H,6,15-16H2,1-5H3

InChI Key

OTVOQYVOVOWOFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134572

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

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.856

Distribution Coefficient, logD

4.856

Water Solubility, LogSw

-4.61

Polar Surface Area

71.310

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with L769-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L769-0045?
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What is the minimum amount of L769-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L769-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L769-0045
  • 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 L769-0045 available by request