C794-0364 Screening compound: 1-[(1-methyl-1H-[1]benzofuro[3,2-b]pyrrol-2-yl)carbonyl]-N~4~-(2-methylbenzyl)-4-piperidinecarboxamide

C794-0364 Screening compound: 1-[(1-methyl-1H-[1]benzofuro[3,2-b]pyrrol-2-yl)carbonyl]-N~4~-(2-methylbenzyl)-4-piperidinecarboxamide
C794-0364 Screening compound: 1-[(1-methyl-1H-[1]benzofuro[3,2-b]pyrrol-2-yl)carbonyl]-N~4~-(2-methylbenzyl)-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0364
1-[(1-methyl-1H-[1]benzofuro[3,2-b]pyrrol-2-yl)carbonyl]-N~4~-(2-methylbenzyl)-4-piperidinecarboxamide

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

C794-0364

Molecular Formula

C26H27N3O3 (C26 H27 N3 O3)

Compound Name

1-[(1-methyl-1H-[1]benzofuro[3,2-b]pyrrol-2-yl)carbonyl]-N~4~-(2-methylbenzyl)-4-piperidinecarboxamide

IUPAC name

1-{3-methyl-7-oxa-3-azatricyclo[6.4.0.0^{26}]dodeca-1(12)2(6)4810-pentaene-4-carbonyl}-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

SMILES

Cc1c(CNC(C(CC2)CCN2C(c2cc(oc3c4cccc3)c4n2C)=O)=O)cccc1

InChI

InChI=1S/C26H27N3O3/c1-17-7-3-4-8-19(17)16-27-25(30)18-11-13-29(14-12-18)26(31)21-15-23-24(28(21)2)20-9-5-6-10-22(20)32-23/h3-10,15,18H,11-14,16H2,1-2H3,(H,27,30)

InChI Key

KUZGEEFHPKQZNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.218

Distribution Coefficient, logD

4.218

Water Solubility, LogSw

-4.24

Polar Surface Area

50.798

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C794-0364 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with C794-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0364?
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What is the minimum amount of C794-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0364
  • 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 C794-0364 available by request