C797-0709 Screening compound: 2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazole

C797-0709 Screening compound: 2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazole
C797-0709 Screening compound: 2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1-[(3-methylphenyl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0709
2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1-[(3-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

C797-0709

Molecular Formula

C31H41N5O (C31 H41 N5 O)

Compound Name

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

IUPAC name

2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1-[(3-methylphenyl)methyl]-1H-13-benzodiazole

SMILES

Cc1cccc(Cn2c(N(CC3)CCC3C(N(CC3)CCN3C3CCCCC3)=O)nc3c2cccc3)c1

InChI

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

InChI Key

HZFVQRYYSCSUIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798303

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

6.095

Distribution Coefficient, logD

5.682

Water Solubility, LogSw

-5.32

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

C797-0709 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C797-0709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0709?
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What is the minimum amount of C797-0709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0709
  • 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 C797-0709 available by request