7793-4084 Screening compound: N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2-(morpholin-4-yl)-5-nitrobenzamide

7793-4084 Screening compound: N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2-(morpholin-4-yl)-5-nitrobenzamide
7793-4084 Screening compound: N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2-(morpholin-4-yl)-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7793-4084
N-[2-(4-ethylphenyl)-6-methyl-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

7793-4084

Molecular Formula

C26H26N6O4 (C26 H26 N6 O4)

Compound Name

N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2-(morpholin-4-yl)-5-nitrobenzamide

IUPAC name

N-[2-(4-ethylphenyl)-6-methyl-2H-123-benzotriazol-5-yl]-2-(morpholin-4-yl)-5-nitrobenzamide

SMILES

CCc(cc1)ccc1-n1nc(cc(c(C)c2)NC(c(cc(cc3)[N+]([O-])=O)c3N3CCOCC3)=O)c2n1

InChI

InChI=1S/C26H26N6O4/c1-3-18-4-6-19(7-5-18)31-28-23-14-17(2)22(16-24(23)29-31)27-26(33)21-15-20(32(34)35)8-9-25(21)30-10-12-36-13-11-30/h4-9,14-16H,3,10-13H2,1-2H3,(H,27,33)

InChI Key

BUNJBULTXNXPBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09454374

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

10

Partition Coefficient, logP

4.859

Distribution Coefficient, logD

4.445

Water Solubility, LogSw

-4.53

Polar Surface Area

91.108

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with 7793-4084 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7793-4084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7793-4084
  • 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 7793-4084 available by request