4607-1640 Screening compound: 1-(furan-2-carbonyl)-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

4607-1640 Screening compound: 1-(furan-2-carbonyl)-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
4607-1640 Screening compound: 1-(furan-2-carbonyl)-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4607-1640
1-(furan-2-carbonyl)-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

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

4607-1640

Molecular Formula

C16H13F3N2O4 (C16 H13 F3 N2 O4)

Compound Name

1-(furan-2-carbonyl)-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

n/a

SMILES

COc1cccc(C(CC2(C(F)(F)F)O)=NN2C(c2ccco2)=O)c1

InChI

InChI=1S/C16H13F3N2O4/c1-24-11-5-2-4-10(8-11)12-9-15(23,16(17,18)19)21(20-12)14(22)13-6-3-7-25-13/h2-8,23H,9H2,1H3/t15-/m0/s1

InChI Key

XVRTYXDDNKVWME-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02912331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.630

Distribution Coefficient, logD

2.630

Water Solubility, LogSw

-2.70

Polar Surface Area

59.640

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

2.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

4607-1640 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4607-1640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4607-1640?
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What is the minimum amount of 4607-1640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4607-1640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4607-1640
  • 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 4607-1640 available by request