8377-0897 Screening compound: N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide

8377-0897 Screening compound: N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
8377-0897 Screening compound: N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8377-0897
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide

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

8377-0897

Molecular Formula

C26H23ClN4O4 (C26 H23 ClN4 O4)

Compound Name

N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide

IUPAC name

N-[3-(13-benzoxazol-2-yl)-4-chlorophenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide

SMILES

CC(CC1)CCN1c(ccc(C(Nc(cc1)cc(-c2nc(cccc3)c3o2)c1Cl)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C26H23ClN4O4/c1-16-10-12-30(13-11-16)22-9-6-17(14-23(22)31(33)34)25(32)28-18-7-8-20(27)19(15-18)26-29-21-4-2-3-5-24(21)35-26/h2-9,14-16H,10-13H2,1H3,(H,28,32)

InChI Key

AJVNSAPCIAXSFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07143952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.401

Distribution Coefficient, logD

6.382

Water Solubility, LogSw

-6.11

Polar Surface Area

76.372

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8377-0897 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8377-0897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8377-0897?
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What is the minimum amount of 8377-0897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8377-0897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8377-0897
  • 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 8377-0897 available by request