C889-0115 Screening compound: 1-methyl-N~2~-(4-methylbenzyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

C889-0115 Screening compound: 1-methyl-N~2~-(4-methylbenzyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
C889-0115 Screening compound: 1-methyl-N~2~-(4-methylbenzyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C889-0115
1-methyl-N~2~-(4-methylbenzyl)-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

C889-0115

Molecular Formula

C20H18N2O2 (C20 H18 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(c2cc(oc3c4cccc3)c4n2C)=O)cc1

InChI

InChI=1S/C20H18N2O2/c1-13-7-9-14(10-8-13)12-21-20(23)16-11-18-19(22(16)2)15-5-3-4-6-17(15)24-18/h3-11H,12H2,1-2H3,(H,21,23)

InChI Key

ZVKURUCXDUNBOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.233

Distribution Coefficient, logD

4.233

Water Solubility, LogSw

-4.30

Polar Surface Area

34.150

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with C889-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C889-0115?
Check Price and Availability of C889-0115, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C889-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C889-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C889-0115
  • 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 C889-0115 available by request