F019-0657 Screening compound: N-[2-(4-butylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-nitrobenzamide

F019-0657 Screening compound: N-[2-(4-butylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-nitrobenzamide
F019-0657 Screening compound: N-[2-(4-butylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F019-0657
N-[2-(4-butylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-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

F019-0657

Molecular Formula

C23H21N5O3 (C23 H21 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCc(cc1)ccc1-n1nc(cc(cc2)NC(c(cccc3)c3[N+]([O-])=O)=O)c2n1

InChI

InChI=1S/C23H21N5O3/c1-2-3-6-16-9-12-18(13-10-16)27-25-20-14-11-17(15-21(20)26-27)24-23(29)19-7-4-5-8-22(19)28(30)31/h4-5,7-15H,2-3,6H2,1H3,(H,24,29)

InChI Key

NLLQHTBBUVHLMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03037129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.953

Distribution Coefficient, logD

4.923

Water Solubility, LogSw

-5.44

Polar Surface Area

80.444

Acid Dissociation Constant (pKa)

6.41

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

F019-0657 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F019-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F019-0657?
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What is the minimum amount of F019-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F019-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F019-0657
  • 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 F019-0657 available by request