E734-1231 Screening compound: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide

E734-1231 Screening compound: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide
E734-1231 Screening compound: N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-1231
N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide

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

E734-1231

Molecular Formula

C23H23N5O4S (C23 H23 N5 O4 S)

Compound Name

N-[4-(1H-1,3-benzodiazol-2-yl)phenyl]-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide

IUPAC name

N-[4-(1H-13-benzodiazol-2-yl)phenyl]-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide

SMILES

Cn1c(C(Nc(cc2)ccc2-c2nc(cccc3)c3[nH]2)=O)cc(S(N2CCOCC2)(=O)=O)c1

InChI

InChI=1S/C23H23N5O4S/c1-27-15-18(33(30,31)28-10-12-32-13-11-28)14-21(27)23(29)24-17-8-6-16(7-9-17)22-25-19-4-2-3-5-20(19)26-22/h2-9,14-15H,10-13H2,1H3,(H,24,29)(H,25,26)

InChI Key

SUJBOXMDTMNWJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.649

Distribution Coefficient, logD

2.647

Water Solubility, LogSw

-3.28

Polar Surface Area

84.279

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

E734-1231 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E734-1231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-1231?
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What is the minimum amount of E734-1231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-1231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-1231
  • 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 E734-1231 available by request