F018-2949 Screening compound: methyl 2-{2-[3-(trifluoromethyl)-1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-1-yl]acetamido}benzoate

F018-2949 Screening compound: methyl 2-{2-[3-(trifluoromethyl)-1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-1-yl]acetamido}benzoate
F018-2949 Screening compound: methyl 2-{2-[3-(trifluoromethyl)-1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F018-2949
methyl 2-{2-[3-(trifluoromethyl)-1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-1-yl]acetamido}benzoate

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

F018-2949

Molecular Formula

C19H20F3N3O3 (C19 H20 F3 N3 O3)

Compound Name

methyl 2-{2-[3-(trifluoromethyl)-1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-1-yl]acetamido}benzoate

IUPAC name

methyl 2-{2-[3-(trifluoromethyl)-1H4H5H6H7H8H-cyclohepta[c]pyrazol-1-yl]acetamido}benzoate

SMILES

COC(c(cccc1)c1NC(Cn1nc(C(F)(F)F)c2c1CCCCC2)=O)=O

InChI

InChI=1S/C19H20F3N3O3/c1-28-18(27)12-7-5-6-9-14(12)23-16(26)11-25-15-10-4-2-3-8-13(15)17(24-25)19(20,21)22/h5-7,9H,2-4,8,10-11H2,1H3,(H,23,26)

InChI Key

AIFFZISXGDBBTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.632

Distribution Coefficient, logD

3.606

Water Solubility, LogSw

-3.95

Polar Surface Area

58.576

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with F018-2949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F018-2949?
Check Price and Availability of F018-2949, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F018-2949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F018-2949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F018-2949
  • 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 F018-2949 available by request