G796-0040 Screening compound: 2-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methyl-1H-1,3-benzodiazole

G796-0040 Screening compound: 2-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methyl-1H-1,3-benzodiazole
G796-0040 Screening compound: 2-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G796-0040
2-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methyl-1H-1,3-benzodiazole

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

G796-0040

Molecular Formula

C24H28FN5O (C24 H28 FN5 O)

Compound Name

2-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methyl-1H-1,3-benzodiazole

IUPAC name

2-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methyl-1H-13-benzodiazole

SMILES

Cc(cc1)cc([nH]2)c1nc2N(CC1)CCC1C(N(CC1)CCN1c(cccc1)c1F)=O

InChI

InChI=1S/C24H28FN5O/c1-17-6-7-20-21(16-17)27-24(26-20)30-10-8-18(9-11-30)23(31)29-14-12-28(13-15-29)22-5-3-2-4-19(22)25/h2-7,16,18H,8-15H2,1H3,(H,26,27)

InChI Key

FCTWHSYAOPHMHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15036444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.856

Distribution Coefficient, logD

3.772

Water Solubility, LogSw

-3.95

Polar Surface Area

41.517

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

G796-0040 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G796-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G796-0040?
Check Price and Availability of G796-0040, 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 G796-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G796-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G796-0040
  • 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 G796-0040 available by request