8377-1302 Screening compound: N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide

8377-1302 Screening compound: N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
8377-1302 Screening compound: N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8377-1302
N-[3-(6-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

8377-1302

Molecular Formula

C27H26N4O4 (C27 H26 N4 O4)

Compound Name

N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide

IUPAC name

N-[3-(6-methyl-13-benzoxazol-2-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide

SMILES

CC(CC1)CCN1c(ccc(C(Nc1cc(-c2nc(ccc(C)c3)c3o2)ccc1)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C27H26N4O4/c1-17-10-12-30(13-11-17)23-9-7-19(16-24(23)31(33)34)26(32)28-21-5-3-4-20(15-21)27-29-22-8-6-18(2)14-25(22)35-27/h3-9,14-17H,10-13H2,1-2H3,(H,28,32)

InChI Key

OVALKRCGHGQJGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07144408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

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

6.181

Distribution Coefficient, logD

6.181

Water Solubility, LogSw

-5.48

Polar Surface Area

76.372

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

8377-1302 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8377-1302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8377-1302?
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What is the minimum amount of 8377-1302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8377-1302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8377-1302
  • 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 8377-1302 available by request