Y010-0256 Screening compound: 3-bromo-N-[(furan-2-yl)methyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

Y010-0256 Screening compound: 3-bromo-N-[(furan-2-yl)methyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
Y010-0256 Screening compound: 3-bromo-N-[(furan-2-yl)methyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0256
3-bromo-N-[(furan-2-yl)methyl]-5-(4-methoxyphenyl)-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

Y010-0256

Molecular Formula

C20H18BrF3N4O3 (C20 H18 BrF3 N4 O3)

Compound Name

3-bromo-N-[(furan-2-yl)methyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

3-bromo-N-[(furan-2-yl)methyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

COc1ccc(C(CC(C(F)(F)F)n2nc3C(NCc4ccco4)=O)Nc2c3Br)cc1

InChI

InChI=1S/C20H18BrF3N4O3/c1-30-12-6-4-11(5-7-12)14-9-15(20(22,23)24)28-18(26-14)16(21)17(27-28)19(29)25-10-13-3-2-8-31-13/h2-8,14-15,26H,9-10H2,1H3,(H,25,29)

InChI Key

UQBODVZFRVOPPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01923153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.450

Distribution Coefficient, logD

4.450

Water Solubility, LogSw

-4.38

Polar Surface Area

65.766

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

Y010-0256 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y010-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0256?
Check Price and Availability of Y010-0256, 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 Y010-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0256
  • 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 Y010-0256 available by request