D305-0584 Screening compound: N-(2-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-1-methyl-1H-1,3-benzodiazol-5-yl)thiophene-2-carboxamide

D305-0584 Screening compound: N-(2-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-1-methyl-1H-1,3-benzodiazol-5-yl)thiophene-2-carboxamide
D305-0584 Screening compound: N-(2-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-1-methyl-1H-1,3-benzodiazol-5-yl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0584
N-(2-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-1-methyl-1H-1,3-benzodiazol-5-yl)thiophene-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

D305-0584

Molecular Formula

C25H24ClN5O2S (C25 H24 ClN5 O2 S)

Compound Name

N-(2-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-1-methyl-1H-1,3-benzodiazol-5-yl)thiophene-2-carboxamide

IUPAC name

N-(2-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-1-methyl-1H-13-benzodiazol-5-yl)thiophene-2-carboxamide

SMILES

Cn1c(ccc(NC(c2cccs2)=O)c2)c2nc1CN(CC1)CCN1C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C25H24ClN5O2S/c1-29-21-9-8-19(27-24(32)22-3-2-14-34-22)15-20(21)28-23(29)16-30-10-12-31(13-11-30)25(33)17-4-6-18(26)7-5-17/h2-9,14-15H,10-13,16H2,1H3,(H,27,32)

InChI Key

JOONBXLNYQEXFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27579742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.591

Distribution Coefficient, logD

3.542

Water Solubility, LogSw

-4.15

Polar Surface Area

56.523

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

D305-0584 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D305-0584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0584?
Check Price and Availability of D305-0584, 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 D305-0584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0584
  • 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 D305-0584 available by request