F019-1826 Screening compound: methyl 4-(4-acetylpiperazin-1-yl)-3-(2-chloro-5-nitrobenzamido)benzoate

F019-1826 Screening compound: methyl 4-(4-acetylpiperazin-1-yl)-3-(2-chloro-5-nitrobenzamido)benzoate
F019-1826 Screening compound: methyl 4-(4-acetylpiperazin-1-yl)-3-(2-chloro-5-nitrobenzamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F019-1826
methyl 4-(4-acetylpiperazin-1-yl)-3-(2-chloro-5-nitrobenzamido)benzoate

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

F019-1826

Molecular Formula

C21H21ClN4O6 (C21 H21 ClN4 O6)

Compound Name

methyl 4-(4-acetylpiperazin-1-yl)-3-(2-chloro-5-nitrobenzamido)benzoate

IUPAC name

methyl 4-(4-acetylpiperazin-1-yl)-3-(2-chloro-5-nitrobenzamido)benzoate

SMILES

CC(N(CC1)CCN1c(ccc(C(OC)=O)c1)c1NC(c(cc(cc1)[N+]([O-])=O)c1Cl)=O)=O

InChI

InChI=1S/C21H21ClN4O6/c1-13(27)24-7-9-25(10-8-24)19-6-3-14(21(29)32-2)11-18(19)23-20(28)16-12-15(26(30)31)4-5-17(16)22/h3-6,11-12H,7-10H2,1-2H3,(H,23,28)

InChI Key

ZENZSMGPQZFESF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06664224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.87

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.481

Distribution Coefficient, logD

1.778

Water Solubility, LogSw

-4.01

Polar Surface Area

97.534

Acid Dissociation Constant (pKa)

5.71

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F019-1826 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F019-1826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F019-1826?
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What is the minimum amount of F019-1826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F019-1826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F019-1826
  • 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 F019-1826 available by request