Y040-9642 Screening compound: 1-[bis(4-fluorophenyl)methyl]-4-[2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]piperazine

Y040-9642 Screening compound: 1-[bis(4-fluorophenyl)methyl]-4-[2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]piperazine
Y040-9642 Screening compound: 1-[bis(4-fluorophenyl)methyl]-4-[2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9642
1-[bis(4-fluorophenyl)methyl]-4-[2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]piperazine

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

Y040-9642

Molecular Formula

C25H21ClF2N6O (C25 H21 ClF2 N6 O)

Compound Name

1-[bis(4-fluorophenyl)methyl]-4-[2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]piperazine

IUPAC name

1-[bis(4-fluorophenyl)methyl]-4-[2-chloro-5-(1H-1234-tetrazol-1-yl)benzoyl]piperazine

SMILES

O=C(c(cc(cc1)-n2nnnc2)c1Cl)N(CC1)CCN1C(c(cc1)ccc1F)c(cc1)ccc1F

InChI

InChI=1S/C25H21ClF2N6O/c26-23-10-9-21(34-16-29-30-31-34)15-22(23)25(35)33-13-11-32(12-14-33)24(17-1-5-19(27)6-2-17)18-3-7-20(28)8-4-18/h1-10,15-16,24H,11-14H2

InChI Key

AHOAQOKIIIKWLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12211966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.300

Distribution Coefficient, logD

4.300

Water Solubility, LogSw

-4.63

Polar Surface Area

59.213

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y040-9642 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with Y040-9642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9642?
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What is the minimum amount of Y040-9642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9642
  • 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 Y040-9642 available by request