D347-3586 Screening compound: N-[1-(1-{[phenyl(propan-2-yl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)ethyl]furan-2-carboxamide

D347-3586 Screening compound: N-[1-(1-{[phenyl(propan-2-yl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)ethyl]furan-2-carboxamide
D347-3586 Screening compound: N-[1-(1-{[phenyl(propan-2-yl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)ethyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-3586
N-[1-(1-{[phenyl(propan-2-yl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)ethyl]furan-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

D347-3586

Molecular Formula

C25H26N4O3 (C25 H26 N4 O3)

Compound Name

N-[1-(1-{[phenyl(propan-2-yl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)ethyl]furan-2-carboxamide

IUPAC name

N-[1-(1-{[phenyl(propan-2-yl)carbamoyl]methyl}-1H-13-benzodiazol-2-yl)ethyl]furan-2-carboxamide

SMILES

CC(C)N(C(Cn1c(cccc2)c2nc1C(C)NC(c1ccco1)=O)=O)c1ccccc1

InChI

InChI=1S/C25H26N4O3/c1-17(2)29(19-10-5-4-6-11-19)23(30)16-28-21-13-8-7-12-20(21)27-24(28)18(3)26-25(31)22-14-9-15-32-22/h4-15,17-18H,16H2,1-3H3,(H,26,31)/t18-/m0/s1

InChI Key

PEVPMBRZTZDUMK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD12548097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.720

Distribution Coefficient, logD

3.720

Water Solubility, LogSw

-4.04

Polar Surface Area

57.541

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

D347-3586 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Immunological Library (6760 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Others

References: we are preparing a list of scientific research reports with D347-3586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-3586?
Check Price and Availability of D347-3586, 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 D347-3586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-3586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-3586
  • 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 D347-3586 available by request