3209-1311 Screening compound: N-[3-(1-hydroxyethyl)phenyl]-5-(4-methylphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

3209-1311 Screening compound: N-[3-(1-hydroxyethyl)phenyl]-5-(4-methylphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
3209-1311 Screening compound: N-[3-(1-hydroxyethyl)phenyl]-5-(4-methylphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-1311
N-[3-(1-hydroxyethyl)phenyl]-5-(4-methylphenyl)-7-(trifluoromethyl)-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

3209-1311

Molecular Formula

C23H23F3N4O2 (C23 H23 F3 N4 O2)

Compound Name

N-[3-(1-hydroxyethyl)phenyl]-5-(4-methylphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

(5R7S)-N-[3-(1-hydroxyethyl)phenyl]-5-(4-methylphenyl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

CC(c1cccc(NC(c2c(N[C@@H](C[C@@H]3C(F)(F)F)c4ccc(C)cc4)n3nc2)=O)c1)O

InChI

InChI=1S/C23H23F3N4O2/c1-13-6-8-15(9-7-13)19-11-20(23(24,25)26)30-21(29-19)18(12-27-30)22(32)28-17-5-3-4-16(10-17)14(2)31/h3-10,12,14,19-20,29,31H,11H2,1-2H3,(H,28,32)/t14?,19-,20-/m1/s1

InChI Key

HIFMEZWRVWHWBI-LZVFCHHLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.286

Distribution Coefficient, logD

4.286

Water Solubility, LogSw

-4.18

Polar Surface Area

64.616

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

30.40

3209-1311 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3209-1311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-1311?
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What is the minimum amount of 3209-1311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-1311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-1311
  • 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 3209-1311 available by request