4299-1940 Screening compound: 1-(2-bromobenzoyl)-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazine

4299-1940 Screening compound: 1-(2-bromobenzoyl)-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazine
4299-1940 Screening compound: 1-(2-bromobenzoyl)-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4299-1940
1-(2-bromobenzoyl)-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-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

4299-1940

Molecular Formula

C22H22BrN5O3 (C22 H22 BrN5 O3)

Compound Name

1-(2-bromobenzoyl)-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazine

IUPAC name

1-(2-bromobenzoyl)-4-[3-(35-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazine

SMILES

Cc1cc(C)nn1-c(cc(cc1)N(CC2)CCN2C(c(cccc2)c2Br)=O)c1[N+]([O-])=O

InChI

InChI=1S/C22H22BrN5O3/c1-15-13-16(2)27(24-15)21-14-17(7-8-20(21)28(30)31)25-9-11-26(12-10-25)22(29)18-5-3-4-6-19(18)23/h3-8,13-14H,9-12H2,1-2H3

InChI Key

CGCUAYRHTFHFJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02629915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.136

Distribution Coefficient, logD

3.136

Water Solubility, LogSw

-3.58

Polar Surface Area

66.798

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

4299-1940 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4299-1940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4299-1940?
Check Price and Availability of 4299-1940, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4299-1940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4299-1940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4299-1940
  • 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 4299-1940 available by request