3209-0890 Screening compound: propan-2-yl 2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

3209-0890 Screening compound: propan-2-yl 2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
3209-0890 Screening compound: propan-2-yl 2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0890
propan-2-yl 2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

3209-0890

Molecular Formula

C27H29F3N4O4S (C27 H29 F3 N4 O4 S)

Compound Name

propan-2-yl 2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

propan-2-yl 2-[5-(4-methoxyphenyl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-3-amido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CC(C)OC(c1c(NC(c2c(NC(CC3C(F)(F)F)c(cc4)ccc4OC)n3nc2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C27H29F3N4O4S/c1-14(2)38-26(36)22-17-6-4-5-7-20(17)39-25(22)33-24(35)18-13-31-34-21(27(28,29)30)12-19(32-23(18)34)15-8-10-16(37-3)11-9-15/h8-11,13-14,19,21,32H,4-7,12H2,1-3H3,(H,33,35)

InChI Key

IMINADDASBEEJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01924083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.978

Distribution Coefficient, logD

3.216

Water Solubility, LogSw

-5.42

Polar Surface Area

76.297

Acid Dissociation Constant (pKa)

4.64

Base Dissociation Constant (pKb)

-3.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

3209-0890 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3209-0890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0890?
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What is the minimum amount of 3209-0890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0890
  • 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 3209-0890 available by request