3209-0652 Screening compound: 3-bromo-5-(5-bromothiophen-2-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

3209-0652 Screening compound: 3-bromo-5-(5-bromothiophen-2-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
3209-0652 Screening compound: 3-bromo-5-(5-bromothiophen-2-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0652
3-bromo-5-(5-bromothiophen-2-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-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

3209-0652

Molecular Formula

C21H16Br2F3N5OS2 (C21 H16 Br2 F3 N5 OS2)

Compound Name

3-bromo-5-(5-bromothiophen-2-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

(5R7S)-3-bromo-5-(5-bromothiophen-2-yl)-N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

N#Cc1c(NC(c2nn([C@H](C[C@@H](c(s3)ccc3Br)N3)C(F)(F)F)c3c2Br)=O)sc2c1CCCC2

InChI

InChI=1S/C21H16Br2F3N5OS2/c22-15-6-5-13(33-15)11-7-14(21(24,25)26)31-18(28-11)16(23)17(30-31)19(32)29-20-10(8-27)9-3-1-2-4-12(9)34-20/h5-6,11,14,28H,1-4,7H2,(H,29,32)/t11-,14-/m1/s1

InChI Key

SCJOHOPCOIZNDW-BXUZGUMPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

635.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.292

Distribution Coefficient, logD

4.160

Water Solubility, LogSw

-5.86

Polar Surface Area

66.941

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

-4.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

3209-0652 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 3209-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0652?
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What is the minimum amount of 3209-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0652
  • 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 3209-0652 available by request