Y501-8171 Screening compound: methyl 4-({2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)benzoate

Y501-8171 Screening compound: methyl 4-({2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)benzoate

Chemical Structure Depiction of ChemDiv screening compound Y501-8171
methyl 4-({2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)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

Y501-8171

Molecular Formula

C17H16F3N3O3 (C17 H16 F3 N3 O3)

Compound Name

methyl 4-({2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)benzoate

IUPAC name

methyl 4-{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}benzoate

SMILES

COC(c(cc1)ccc1NC(Cn1nc(C(F)(F)F)cc1C1CC1)=O)=O

InChI

InChI=1S/C17H16F3N3O3/c1-26-16(25)11-4-6-12(7-5-11)21-15(24)9-23-13(10-2-3-10)8-14(22-23)17(18,19)20/h4-8,10H,2-3,9H2,1H3,(H,21,24)

InChI Key

FMZHETMMUHLOIA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.505

Distribution Coefficient, logD

3.504

Water Solubility, LogSw

-3.79

Polar Surface Area

57.772

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

References: we are preparing a list of scientific research reports with Y501-8171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-8171?
Check Price and Availability of Y501-8171, 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 Y501-8171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-8171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-8171
  • 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 Y501-8171 available by request