4872-0761 Screening compound: 4-[3-(dichloromethyl)-4-nitro-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]morpholine

4872-0761 Screening compound: 4-[3-(dichloromethyl)-4-nitro-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]morpholine
4872-0761 Screening compound: 4-[3-(dichloromethyl)-4-nitro-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4872-0761
4-[3-(dichloromethyl)-4-nitro-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]morpholine

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

4872-0761

Molecular Formula

C14H11Cl5N4O3 (C14 H11 Cl5 N4 O3)

Compound Name

4-[3-(dichloromethyl)-4-nitro-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]morpholine

IUPAC name

4-[3-(dichloromethyl)-4-nitro-1-(246-trichlorophenyl)-1H-pyrazol-5-yl]morpholine

SMILES

[O-][N+](c(c(C(Cl)Cl)nn1-c(c(Cl)cc(Cl)c2)c2Cl)c1N1CCOCC1)=O

InChI

InChI=1S/C14H11Cl5N4O3/c15-7-5-8(16)11(9(17)6-7)22-14(21-1-3-26-4-2-21)12(23(24)25)10(20-22)13(18)19/h5-6,13H,1-4H2

InChI Key

JFTNBDASJPVMGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.508

Distribution Coefficient, logD

5.508

Water Solubility, LogSw

-6.09

Polar Surface Area

57.195

Acid Dissociation Constant (pKa)

25.14

Base Dissociation Constant (pKb)

-6.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

4872-0761 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4872-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4872-0761?
Check Price and Availability of 4872-0761, 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 4872-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4872-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4872-0761
  • 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 4872-0761 available by request