C797-0794 Screening compound: 2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazole

C797-0794 Screening compound: 2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazole
C797-0794 Screening compound: 2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0794
2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1-[(2-methylphenyl)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

C797-0794

Molecular Formula

C31H41N5O (C31 H41 N5 O)

Compound Name

2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazole

IUPAC name

2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1-[(2-methylphenyl)methyl]-1H-13-benzodiazole

SMILES

Cc1c(Cn2c(N(CC3)CCC3C(N(CC3)CCN3C3CCCCC3)=O)nc3c2cccc3)cccc1

InChI

InChI=1S/C31H41N5O/c1-24-9-5-6-10-26(24)23-36-29-14-8-7-13-28(29)32-31(36)35-17-15-25(16-18-35)30(37)34-21-19-33(20-22-34)27-11-3-2-4-12-27/h5-10,13-14,25,27H,2-4,11-12,15-23H2,1H3

InChI Key

GSSMQRLBYUJAPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.7

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.204

Distribution Coefficient, logD

5.792

Water Solubility, LogSw

-5.37

Polar Surface Area

32.902

Acid Dissociation Constant (pKa)

21.91

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.80

References: we are preparing a list of scientific research reports with C797-0794 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0794
  • 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 C797-0794 available by request