3209-0534 Screening compound: 3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

3209-0534 Screening compound: 3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
3209-0534 Screening compound: 3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0534
3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-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

3209-0534

Molecular Formula

C19H13BrF6N4OS (C19 H13 BrF6 N4 OS)

Compound Name

3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

(5R7S)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

O=C(c1nn([C@H](C[C@@H](c2cccs2)N2)C(F)(F)F)c2c1Br)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C19H13BrF6N4OS/c20-14-15(17(31)27-10-4-1-3-9(7-10)18(21,22)23)29-30-13(19(24,25)26)8-11(28-16(14)30)12-5-2-6-32-12/h1-7,11,13,28H,8H2,(H,27,31)/t11-,13-/m1/s1

InChI Key

AWIPZHJVDUQZFR-DGCLKSJQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.713

Distribution Coefficient, logD

5.707

Water Solubility, LogSw

-5.98

Polar Surface Area

50.170

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

3209-0534 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3209-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0534?
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What is the minimum amount of 3209-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0534
  • 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 3209-0534 available by request