Y505-0543 Screening compound: 1-[4-(DIFLUOROMETHYL)-6-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-2-PYRIMIDINYL]AZEPANE

Y505-0543 Screening compound: 1-[4-(DIFLUOROMETHYL)-6-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-2-PYRIMIDINYL]AZEPANE
Y505-0543 Screening compound: 1-[4-(DIFLUOROMETHYL)-6-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-2-PYRIMIDINYL]AZEPANE alternative view

Chemical Structure Depiction of ChemDiv screening compound Y505-0543
1-[4-(DIFLUOROMETHYL)-6-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-2-PYRIMIDINYL]AZEPANE

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

Y505-0543

Molecular Formula

C16H21F2N5 (C16 H21 F2 N5)

Compound Name

1-[4-(DIFLUOROMETHYL)-6-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-2-PYRIMIDINYL]AZEPANE

IUPAC name

n/a

SMILES

Cc1nn(C)cc1-c1cc(C(F)F)nc(N2CCCCCC2)n1

InChI

InChI=1S/C16H21F2N5/c1-11-12(10-22(2)21-11)13-9-14(15(17)18)20-16(19-13)23-7-5-3-4-6-8-23/h9-10,15H,3-8H2,1-2H3

InChI Key

UOAZSSYDLALDBK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.323

Distribution Coefficient, logD

3.323

Water Solubility, LogSw

-3.59

Polar Surface Area

36.410

Acid Dissociation Constant (pKa)

21.28

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

References: we are preparing a list of scientific research reports with Y505-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y505-0543?
Check Price and Availability of Y505-0543, 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 Y505-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y505-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y505-0543
  • 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 Y505-0543 available by request