C889-0090 Screening compound: N~2~-(4-chlorobenzyl)-1-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

C889-0090 Screening compound: N~2~-(4-chlorobenzyl)-1-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
C889-0090 Screening compound: N~2~-(4-chlorobenzyl)-1-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C889-0090
N~2~-(4-chlorobenzyl)-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

C889-0090

Molecular Formula

C19H15ClN2O2 (C19 H15 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cn(c(C(NCc(cc1)ccc1Cl)=O)c1)c2c1oc1c2cccc1

InChI

InChI=1S/C19H15ClN2O2/c1-22-15(19(23)21-11-12-6-8-13(20)9-7-12)10-17-18(22)14-4-2-3-5-16(14)24-17/h2-10H,11H2,1H3,(H,21,23)

InChI Key

BCZKQHUIWHAUHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.79

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

4.404

Distribution Coefficient, logD

4.404

Water Solubility, LogSw

-4.73

Polar Surface Area

34.150

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C889-0090 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C889-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C889-0090?
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What is the minimum amount of C889-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C889-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C889-0090
  • 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 C889-0090 available by request