Y508-0042 Screening compound: 2-(4-bromophenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidine

Y508-0042 Screening compound: 2-(4-bromophenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidine
Y508-0042 Screening compound: 2-(4-bromophenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-0042
2-(4-bromophenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidine

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

Y508-0042

Molecular Formula

C21H17BrN4 (C21 H17 BrN4)

Compound Name

2-(4-bromophenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidine

IUPAC name

n/a

SMILES

Cc1cc(C)nn1-c1cc(-c2ccccc2)nc(-c(cc2)ccc2Br)n1

InChI

InChI=1S/C21H17BrN4/c1-14-12-15(2)26(25-14)20-13-19(16-6-4-3-5-7-16)23-21(24-20)17-8-10-18(22)11-9-17/h3-13H,1-2H3

InChI Key

HXQNWDQGOAPWBE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.559

Distribution Coefficient, logD

6.554

Water Solubility, LogSw

-6.04

Polar Surface Area

31.602

Acid Dissociation Constant (pKa)

27.54

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with Y508-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-0042?
Check Price and Availability of Y508-0042, 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 Y508-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-0042
  • 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 Y508-0042 available by request