7770-4080 Screening compound: N-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]-2-(morpholin-4-yl)-5-nitrobenzamide

7770-4080 Screening compound: N-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]-2-(morpholin-4-yl)-5-nitrobenzamide
7770-4080 Screening compound: N-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]-2-(morpholin-4-yl)-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7770-4080
N-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]-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

7770-4080

Molecular Formula

C23H19FN6O4 (C23 H19 FN6 O4)

Compound Name

N-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]-2-(morpholin-4-yl)-5-nitrobenzamide

IUPAC name

N-[2-(4-fluorophenyl)-2H-123-benzotriazol-5-yl]-2-(morpholin-4-yl)-5-nitrobenzamide

SMILES

[O-][N+](c(cc1)cc(C(Nc2cc3nn(-c(cc4)ccc4F)nc3cc2)=O)c1N1CCOCC1)=O

InChI

InChI=1S/C23H19FN6O4/c24-15-1-4-17(5-2-15)29-26-20-7-3-16(13-21(20)27-29)25-23(31)19-14-18(30(32)33)6-8-22(19)28-9-11-34-12-10-28/h1-8,13-14H,9-12H2,(H,25,31)

InChI Key

LQHZLWNHVYVKBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09453845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.075

Distribution Coefficient, logD

3.792

Water Solubility, LogSw

-4.26

Polar Surface Area

91.805

Acid Dissociation Constant (pKa)

7.44

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

7770-4080 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7770-4080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7770-4080?
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What is the minimum amount of 7770-4080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7770-4080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7770-4080
  • 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 7770-4080 available by request