D305-0918 Screening compound: N-(2-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-4-nitrobenzamide

D305-0918 Screening compound: N-(2-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-4-nitrobenzamide
D305-0918 Screening compound: N-(2-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0918
N-(2-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-4-nitrobenzamide

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

D305-0918

Molecular Formula

C25H24N6O5 (C25 H24 N6 O5)

Compound Name

N-(2-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-4-nitrobenzamide

IUPAC name

N-(2-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1-methyl-1H-13-benzodiazol-5-yl)-4-nitrobenzamide

SMILES

Cn1c(ccc(NC(c(cc2)ccc2[N+]([O-])=O)=O)c2)c2nc1CN(CC1)CCN1C(c1ccco1)=O

InChI

InChI=1S/C25H24N6O5/c1-28-21-9-6-18(26-24(32)17-4-7-19(8-5-17)31(34)35)15-20(21)27-23(28)16-29-10-12-30(13-11-29)25(33)22-3-2-14-36-22/h2-9,14-15H,10-13,16H2,1H3,(H,26,32)

InChI Key

HIMNTUAHFMKMEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09767020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.426

Distribution Coefficient, logD

2.377

Water Solubility, LogSw

-2.98

Polar Surface Area

97.465

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

D305-0918 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D305-0918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0918?
Check Price and Availability of D305-0918, 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 D305-0918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0918
  • 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 D305-0918 available by request