3209-0979 Screening compound: 5-(4-bromophenyl)-N-[(thiophen-2-yl)methyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

3209-0979 Screening compound: 5-(4-bromophenyl)-N-[(thiophen-2-yl)methyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
3209-0979 Screening compound: 5-(4-bromophenyl)-N-[(thiophen-2-yl)methyl]-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0979
5-(4-bromophenyl)-N-[(thiophen-2-yl)methyl]-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

3209-0979

Molecular Formula

C19H16BrF3N4OS (C19 H16 BrF3 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c(N[C@@H](C[C@@H]2C(F)(F)F)c(cc3)ccc3Br)n2nc1)NCc1cccs1

InChI

InChI=1S/C19H16BrF3N4OS/c20-12-5-3-11(4-6-12)15-8-16(19(21,22)23)27-17(26-15)14(10-25-27)18(28)24-9-13-2-1-7-29-13/h1-7,10,15-16,26H,8-9H2,(H,24,28)/t15-,16-/m0/s1

InChI Key

GDURRSFHJLQNFK-HOTGVXAUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.33

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

5.140

Distribution Coefficient, logD

5.140

Water Solubility, LogSw

-5.15

Polar Surface Area

50.946

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

3209-0979 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3209-0979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0979?
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What is the minimum amount of 3209-0979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0979
  • 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 3209-0979 available by request