7888-0913 Screening compound: N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide

7888-0913 Screening compound: N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
7888-0913 Screening compound: N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7888-0913
N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-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

7888-0913

Molecular Formula

C28H28N4O4 (C28 H28 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1c(ccc(C(Nc1c(C)ccc(-c2nc(cc(C)cc3)c3o2)c1)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C28H28N4O4/c1-17-10-12-31(13-11-17)24-8-7-20(16-25(24)32(34)35)27(33)29-22-15-21(6-5-19(22)3)28-30-23-14-18(2)4-9-26(23)36-28/h4-9,14-17H,10-13H2,1-3H3,(H,29,33)

InChI Key

VXCDTCFDGZMHTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07087242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.55

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

6.089

Distribution Coefficient, logD

6.088

Water Solubility, LogSw

-5.40

Polar Surface Area

75.674

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

7888-0913 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7888-0913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7888-0913?
Check Price and Availability of 7888-0913, 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 7888-0913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7888-0913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7888-0913
  • 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 7888-0913 available by request