C797-0500 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-2-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}-1H-1,3-benzodiazole

C797-0500 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-2-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}-1H-1,3-benzodiazole
C797-0500 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-2-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0500
1-[(2,5-dimethylphenyl)methyl]-2-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}-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

C797-0500

Molecular Formula

C30H35N7O (C30 H35 N7 O)

Compound Name

1-[(2,5-dimethylphenyl)methyl]-2-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}-1H-1,3-benzodiazole

IUPAC name

1-[(25-dimethylphenyl)methyl]-2-{4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl}-1H-13-benzodiazole

SMILES

Cc1cc(Cn2c(N(CC3)CCC3C(N(CC3)CCN3c3ncccn3)=O)nc3c2cccc3)c(C)cc1

InChI

InChI=1S/C30H35N7O/c1-22-8-9-23(2)25(20-22)21-37-27-7-4-3-6-26(27)33-30(37)36-14-10-24(11-15-36)28(38)34-16-18-35(19-17-34)29-31-12-5-13-32-29/h3-9,12-13,20,24H,10-11,14-19,21H2,1-2H3

InChI Key

IGXDOXMLCTUYEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.775

Distribution Coefficient, logD

5.691

Water Solubility, LogSw

-5.40

Polar Surface Area

51.431

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C797-0500 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C797-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0500?
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What is the minimum amount of C797-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0500
  • 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 C797-0500 available by request