C889-0210 Screening compound: N~2~-(3,4-diethoxyphenethyl)-1-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

C889-0210 Screening compound: N~2~-(3,4-diethoxyphenethyl)-1-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
C889-0210 Screening compound: N~2~-(3,4-diethoxyphenethyl)-1-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C889-0210
N~2~-(3,4-diethoxyphenethyl)-1-methyl-1H-[1]benzofuro[3,2-b]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

C889-0210

Molecular Formula

C24H26N2O4 (C24 H26 N2 O4)

Compound Name

N~2~-(3,4-diethoxyphenethyl)-1-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-3-methyl-7-oxa-3-azatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)4911-pentaene-4-carboxamide

SMILES

CCOc(ccc(CCNC(c1cc(oc2c3cccc2)c3n1C)=O)c1)c1OCC

InChI

InChI=1S/C24H26N2O4/c1-4-28-20-11-10-16(14-21(20)29-5-2)12-13-25-24(27)18-15-22-23(26(18)3)17-8-6-7-9-19(17)30-22/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,25,27)

InChI Key

WTBJFLHOAONXTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.751

Distribution Coefficient, logD

3.751

Water Solubility, LogSw

-4.01

Polar Surface Area

48.412

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with C889-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C889-0210?
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What is the minimum amount of C889-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C889-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C889-0210
  • 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 C889-0210 available by request