2214-0085 Screening compound: 4-{4-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole-1-carbonyl]-2,6-dinitrophenyl}morpholine

2214-0085 Screening compound: 4-{4-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole-1-carbonyl]-2,6-dinitrophenyl}morpholine
2214-0085 Screening compound: 4-{4-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole-1-carbonyl]-2,6-dinitrophenyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2214-0085
4-{4-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole-1-carbonyl]-2,6-dinitrophenyl}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

2214-0085

Molecular Formula

C27H24N6O9 (C27 H24 N6 O9)

Compound Name

4-{4-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole-1-carbonyl]-2,6-dinitrophenyl}morpholine

IUPAC name

4-{4-[3-(4-methoxyphenyl)-5-(3-nitrophenyl)-45-dihydro-1H-pyrazole-1-carbonyl]-26-dinitrophenyl}morpholine

SMILES

COc(cc1)ccc1C(CC1c2cc([N+]([O-])=O)ccc2)=NN1C(c(cc1[N+]([O-])=O)cc([N+]([O-])=O)c1N1CCOCC1)=O

InChI

InChI=1S/C27H24N6O9/c1-41-21-7-5-17(6-8-21)22-16-23(18-3-2-4-20(13-18)31(35)36)30(28-22)27(34)19-14-24(32(37)38)26(25(15-19)33(39)40)29-9-11-42-12-10-29/h2-8,13-15,23H,9-12,16H2,1H3/t23-/m0/s1

InChI Key

OTSUCUUNRFPKCN-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01815887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.52

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

5.265

Distribution Coefficient, logD

5.265

Water Solubility, LogSw

-5.28

Polar Surface Area

144.960

Acid Dissociation Constant (pKa)

18.12

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

2214-0085 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 2214-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2214-0085?
Check Price and Availability of 2214-0085, 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 2214-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2214-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2214-0085
  • 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 2214-0085 available by request