C889-0502 Screening compound: N~2~-(3,4-diethoxyphenethyl)-1-ethyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

C889-0502 Screening compound: N~2~-(3,4-diethoxyphenethyl)-1-ethyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
C889-0502 Screening compound: N~2~-(3,4-diethoxyphenethyl)-1-ethyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C889-0502
N~2~-(3,4-diethoxyphenethyl)-1-ethyl-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

C889-0502

Molecular Formula

C25H28N2O4 (C25 H28 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCn(c(C(NCCc(cc1)cc(OCC)c1OCC)=O)c1)c2c1oc1c2cccc1

InChI

InChI=1S/C25H28N2O4/c1-4-27-19(16-23-24(27)18-9-7-8-10-20(18)31-23)25(28)26-14-13-17-11-12-21(29-5-2)22(15-17)30-6-3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,26,28)

InChI Key

JTZHUTKFECGULC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.366

Distribution Coefficient, logD

4.366

Water Solubility, LogSw

-4.25

Polar Surface Area

47.326

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with C889-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C889-0502?
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What is the minimum amount of C889-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C889-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C889-0502
  • 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 C889-0502 available by request