3209-0142 Screening compound: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3209-0142 Screening compound: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
3209-0142 Screening compound: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0142
N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)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

3209-0142

Molecular Formula

C22H18F3N5O3S (C22 H18 F3 N5 O3 S)

Compound Name

N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-(3-carbamoyl-6-methyl-4567-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

CC(CC1)Cc2c1c(C(N)=O)c(NC(c1nn3c(C(F)(F)F)cc(-c4ccco4)nc3c1)=O)s2

InChI

InChI=1S/C22H18F3N5O3S/c1-10-4-5-11-15(7-10)34-21(18(11)19(26)31)28-20(32)13-9-17-27-12(14-3-2-6-33-14)8-16(22(23,24)25)30(17)29-13/h2-3,6,8-10H,4-5,7H2,1H3,(H2,26,31)(H,28,32)/t10-/m1/s1

InChI Key

WLYUIWZVNWCBOK-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD01450638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.323

Distribution Coefficient, logD

2.645

Water Solubility, LogSw

-3.84

Polar Surface Area

83.841

Acid Dissociation Constant (pKa)

6.83

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

3209-0142 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 3209-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0142?
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What is the minimum amount of 3209-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0142
  • 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 3209-0142 available by request