3617-1860 Screening compound: 1-(3-chloro-4-methoxybenzoyl)-4-(4-nitrophenyl)piperazine

3617-1860 Screening compound: 1-(3-chloro-4-methoxybenzoyl)-4-(4-nitrophenyl)piperazine
3617-1860 Screening compound: 1-(3-chloro-4-methoxybenzoyl)-4-(4-nitrophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3617-1860
1-(3-chloro-4-methoxybenzoyl)-4-(4-nitrophenyl)piperazine

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

3617-1860

Molecular Formula

C18H18ClN3O4 (C18 H18 ClN3 O4)

Compound Name

1-(3-chloro-4-methoxybenzoyl)-4-(4-nitrophenyl)piperazine

IUPAC name

1-(3-chloro-4-methoxybenzoyl)-4-(4-nitrophenyl)piperazine

SMILES

COc(ccc(C(N(CC1)CCN1c(cc1)ccc1[N+]([O-])=O)=O)c1)c1Cl

InChI

InChI=1S/C18H18ClN3O4/c1-26-17-7-2-13(12-16(17)19)18(23)21-10-8-20(9-11-21)14-3-5-15(6-4-14)22(24)25/h2-7,12H,8-11H2,1H3

InChI Key

SOXIJWDWRHCAJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02219524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.81

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.021

Distribution Coefficient, logD

3.021

Water Solubility, LogSw

-3.52

Polar Surface Area

61.159

Acid Dissociation Constant (pKa)

28.25

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

3617-1860 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3617-1860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3617-1860?
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What is the minimum amount of 3617-1860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3617-1860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3617-1860
  • 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 3617-1860 available by request