3209-0911 Screening compound: N-[3-(4-fluorophenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

3209-0911 Screening compound: N-[3-(4-fluorophenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
3209-0911 Screening compound: N-[3-(4-fluorophenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0911
N-[3-(4-fluorophenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-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

3209-0911

Molecular Formula

C29H25F4N5O7 (C29 H25 F4 N5 O7)

Compound Name

N-[3-(4-fluorophenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

(5S7R)-N-[3-(4-fluorophenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-5-(345-trimethoxyphenyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

COc1cc([C@H](C[C@H](C(F)(F)F)n2nc3)Nc2c3C(Nc2cc(Oc(cc3)ccc3F)cc([N+]([O-])=O)c2)=O)cc(OC)c1OC

InChI

InChI=1S/C29H25F4N5O7/c1-42-23-8-15(9-24(43-2)26(23)44-3)22-13-25(29(31,32)33)37-27(36-22)21(14-34-37)28(39)35-17-10-18(38(40)41)12-20(11-17)45-19-6-4-16(30)5-7-19/h4-12,14,22,25,36H,13H2,1-3H3,(H,35,39)/t22-,25-/m1/s1

InChI Key

NXHFAHCBVRIXDA-RCZVLFRGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

631.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.910

Distribution Coefficient, logD

5.907

Water Solubility, LogSw

-5.42

Polar Surface Area

111.712

Acid Dissociation Constant (pKa)

9.51

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.14

3209-0911 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3209-0911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0911?
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What is the minimum amount of 3209-0911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0911
  • 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 3209-0911 available by request