3209-0563 Screening compound: 1-[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroquinoline

3209-0563 Screening compound: 1-[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroquinoline
3209-0563 Screening compound: 1-[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0563
1-[3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,2,3,4-tetrahydroquinoline

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

3209-0563

Molecular Formula

C21H18BrF3N4OS (C21 H18 BrF3 N4 OS)

Compound Name

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

IUPAC name

1-[(5R7S)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carbonyl]-1234-tetrahydroquinoline

SMILES

O=C(c1nn([C@H](C[C@@H](c2cccs2)N2)C(F)(F)F)c2c1Br)N(CCC1)c2c1cccc2

InChI

InChI=1S/C21H18BrF3N4OS/c22-17-18(20(30)28-9-3-6-12-5-1-2-7-14(12)28)27-29-16(21(23,24)25)11-13(26-19(17)29)15-8-4-10-31-15/h1-2,4-5,7-8,10,13,16,26H,3,6,9,11H2/t13-,16-/m1/s1

InChI Key

GRSLXVRDDQYUPO-CZUORRHYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.107

Distribution Coefficient, logD

5.107

Water Solubility, LogSw

-5.19

Polar Surface Area

42.392

Acid Dissociation Constant (pKa)

17.25

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

3209-0563 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Agro:
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3209-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0563?
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What is the minimum amount of 3209-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0563
  • 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 3209-0563 available by request