E203-0745 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide

E203-0745 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide
E203-0745 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E203-0745
N-[2-(3,4-diethoxyphenyl)ethyl]-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

E203-0745

Molecular Formula

C22H31N3O6S (C22 H31 N3 O6 S)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide

SMILES

CCOc(ccc(CCNC(c1cc(S(N2CCOCC2)(=O)=O)cn1C)=O)c1)c1OCC

InChI

InChI=1S/C22H31N3O6S/c1-4-30-20-7-6-17(14-21(20)31-5-2)8-9-23-22(26)19-15-18(16-24(19)3)32(27,28)25-10-12-29-13-11-25/h6-7,14-16H,4-5,8-13H2,1-3H3,(H,23,26)

InChI Key

LKSQEYZWGXJTHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.004

Distribution Coefficient, logD

1.004

Water Solubility, LogSw

-2.46

Polar Surface Area

80.843

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E203-0745 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 E203-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E203-0745?
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What is the minimum amount of E203-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E203-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E203-0745
  • 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 E203-0745 available by request