3209-1354 Screening compound: N-{4-[3-(4-ethoxyphenoxy)-5-nitrophenoxy]phenyl}-5-(4-methylphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

3209-1354 Screening compound: N-{4-[3-(4-ethoxyphenoxy)-5-nitrophenoxy]phenyl}-5-(4-methylphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
3209-1354 Screening compound: N-{4-[3-(4-ethoxyphenoxy)-5-nitrophenoxy]phenyl}-5-(4-methylphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-1354
N-{4-[3-(4-ethoxyphenoxy)-5-nitrophenoxy]phenyl}-5-(4-methylphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

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

3209-1354

Molecular Formula

C35H30F3N5O6 (C35 H30 F3 N5 O6)

Compound Name

N-{4-[3-(4-ethoxyphenoxy)-5-nitrophenoxy]phenyl}-5-(4-methylphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-{4-[3-(4-ethoxyphenoxy)-5-nitrophenoxy]phenyl}-5-(4-methylphenyl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

CCOc(cc1)ccc1Oc1cc([N+]([O-])=O)cc(Oc(cc2)ccc2NC(c2nn(C(CC(c3ccc(C)cc3)N3)C(F)(F)F)c3c2)=O)c1

InChI

InChI=1S/C35H30F3N5O6/c1-3-47-25-12-14-27(15-13-25)49-29-17-24(43(45)46)16-28(18-29)48-26-10-8-23(9-11-26)39-34(44)31-20-33-40-30(22-6-4-21(2)5-7-22)19-32(35(36,37)38)42(33)41-31/h4-18,20,30,32,40H,3,19H2,1-2H3,(H,39,44)

InChI Key

BOUNPTJXZZACTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01923450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

673.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

8.690

Distribution Coefficient, logD

8.690

Water Solubility, LogSw

-5.58

Polar Surface Area

104.858

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

3209-1354 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3209-1354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-1354?
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What is the minimum amount of 3209-1354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-1354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-1354
  • 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 3209-1354 available by request