Y503-4209 Screening compound: N~3~-[5-(aminosulfonyl)-2-methylphenyl]-1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyrimidinyl]-1H-pyrazole-3-carboxamide

Y503-4209 Screening compound: N~3~-[5-(aminosulfonyl)-2-methylphenyl]-1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyrimidinyl]-1H-pyrazole-3-carboxamide
Y503-4209 Screening compound: N~3~-[5-(aminosulfonyl)-2-methylphenyl]-1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyrimidinyl]-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-4209
N~3~-[5-(aminosulfonyl)-2-methylphenyl]-1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyrimidinyl]-1H-pyrazole-3-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

Y503-4209

Molecular Formula

C20H17F3N8O3S (C20 H17 F3 N8 O3 S)

Compound Name

N~3~-[5-(aminosulfonyl)-2-methylphenyl]-1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyrimidinyl]-1H-pyrazole-3-carboxamide

IUPAC name

1-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-N-(2-methyl-5-sulfamoylphenyl)-1H-pyrazole-3-carboxamide

SMILES

Cc(ccc(S(N)(=O)=O)c1)c1NC(c(cc1)nn1-c1nc(-c2cn(C)nc2)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C20H17F3N8O3S/c1-11-3-4-13(35(24,33)34)7-15(11)26-18(32)14-5-6-31(29-14)19-27-16(12-9-25-30(2)10-12)8-17(28-19)20(21,22)23/h3-10H,1-2H3,(H,26,32)(H2,24,33,34)

InChI Key

NKJAVZMPYUWAQF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.836

Distribution Coefficient, logD

1.834

Water Solubility, LogSw

-2.64

Polar Surface Area

119.511

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

Y503-4209 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y503-4209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-4209?
Check Price and Availability of Y503-4209, 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 Y503-4209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-4209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-4209
  • 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 Y503-4209 available by request