7770-4004 Screening compound: N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(morpholin-4-yl)-5-nitrobenzamide

7770-4004 Screening compound: N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(morpholin-4-yl)-5-nitrobenzamide
7770-4004 Screening compound: N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(morpholin-4-yl)-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7770-4004
N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(morpholin-4-yl)-5-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

7770-4004

Molecular Formula

C27H26N4O5 (C27 H26 N4 O5)

Compound Name

N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(morpholin-4-yl)-5-nitrobenzamide

IUPAC name

N-[5-(5-ethyl-13-benzoxazol-2-yl)-2-methylphenyl]-2-(morpholin-4-yl)-5-nitrobenzamide

SMILES

CCc(cc1)cc2c1oc(-c1cc(NC(c(cc(cc3)[N+]([O-])=O)c3N3CCOCC3)=O)c(C)cc1)n2

InChI

InChI=1S/C27H26N4O5/c1-3-18-5-9-25-23(14-18)29-27(36-25)19-6-4-17(2)22(15-19)28-26(32)21-16-20(31(33)34)7-8-24(21)30-10-12-35-13-11-30/h4-9,14-16H,3,10-13H2,1-2H3,(H,28,32)

InChI Key

GLCUXVPWDQZJNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08575340

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

5.155

Distribution Coefficient, logD

5.154

Water Solubility, LogSw

-4.94

Polar Surface Area

83.884

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

7770-4004 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Lipid Metabolism Library (9174 compounds)

PI3K-Targeted Library (17255 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • 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 7770-4004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7770-4004?
Check Price and Availability of 7770-4004, 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 7770-4004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7770-4004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7770-4004
  • 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 7770-4004 available by request