3209-0490 Screening compound: (5R,7S)-N~2~-(4-bromophenyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

3209-0490 Screening compound: (5R,7S)-N~2~-(4-bromophenyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
3209-0490 Screening compound: (5R,7S)-N~2~-(4-bromophenyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0490
(5R,7S)-N~2~-(4-bromophenyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[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

3209-0490

Molecular Formula

C18H14BrF3N4OS (C18 H14 BrF3 N4 OS)

Compound Name

(5R,7S)-N~2~-(4-bromophenyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

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

SMILES

O=C(c1nn([C@H](C[C@@H](c2cccs2)N2)C(F)(F)F)c2c1)Nc(cc1)ccc1Br

InChI

InChI=1S/C18H14BrF3N4OS/c19-10-3-5-11(6-4-10)23-17(27)13-9-16-24-12(14-2-1-7-28-14)8-15(18(20,21)22)26(16)25-13/h1-7,9,12,15,24H,8H2,(H,23,27)/t12-,15-/m1/s1

InChI Key

MYROBHIBQCDNCN-IUODEOHRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.937

Distribution Coefficient, logD

4.937

Water Solubility, LogSw

-4.91

Polar Surface Area

51.876

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.22

3209-0490 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3209-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0490?
Check Price and Availability of 3209-0490, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3209-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0490
  • 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 3209-0490 available by request