8377-1536 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide

8377-1536 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
8377-1536 Screening compound: N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8377-1536
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-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

8377-1536

Molecular Formula

C27H26N4O5 (C27 H26 N4 O5)

Compound Name

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide

IUPAC name

N-[5-(13-benzoxazol-2-yl)-2-methoxyphenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide

SMILES

CC(CC1)CCN1c(ccc(C(Nc(cc(cc1)-c2nc(cccc3)c3o2)c1OC)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C27H26N4O5/c1-17-11-13-30(14-12-17)22-9-7-18(16-23(22)31(33)34)26(32)28-21-15-19(8-10-24(21)35-2)27-29-20-5-3-4-6-25(20)36-27/h3-10,15-17H,11-14H2,1-2H3,(H,28,32)

InChI Key

PMNJFXXSSAPAKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07144675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.669

Distribution Coefficient, logD

5.660

Water Solubility, LogSw

-5.50

Polar Surface Area

83.305

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

8377-1536 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 8377-1536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8377-1536?
Check Price and Availability of 8377-1536, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8377-1536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8377-1536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8377-1536
  • 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 8377-1536 available by request