Y505-6780 Screening compound: METHYL 4-{[4-BROMO-3,5-BIS(3,4-DIMETHYLPHENYL)-1H-PYRAZOL-1-YL]METHYL}BENZOATE

Y505-6780 Screening compound: METHYL 4-{[4-BROMO-3,5-BIS(3,4-DIMETHYLPHENYL)-1H-PYRAZOL-1-YL]METHYL}BENZOATE
Y505-6780 Screening compound: METHYL 4-{[4-BROMO-3,5-BIS(3,4-DIMETHYLPHENYL)-1H-PYRAZOL-1-YL]METHYL}BENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound Y505-6780
METHYL 4-{[4-BROMO-3,5-BIS(3,4-DIMETHYLPHENYL)-1H-PYRAZOL-1-YL]METHYL}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

Y505-6780

Molecular Formula

C28H27BrN2O2 (C28 H27 BrN2 O2)

Compound Name

METHYL 4-{[4-BROMO-3,5-BIS(3,4-DIMETHYLPHENYL)-1H-PYRAZOL-1-YL]METHYL}BENZOATE

IUPAC name

n/a

SMILES

Cc(cc1)c(C)cc1-c(n(Cc(cc1)ccc1C(OC)=O)nc1-c2cc(C)c(C)cc2)c1Br

InChI

InChI=1S/C28H27BrN2O2/c1-17-6-10-23(14-19(17)3)26-25(29)27(24-11-7-18(2)20(4)15-24)31(30-26)16-21-8-12-22(13-9-21)28(32)33-5/h6-15H,16H2,1-5H3

InChI Key

HVAGRBMFRQSQQV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.958

Distribution Coefficient, logD

7.958

Water Solubility, LogSw

-5.64

Polar Surface Area

34.374

Acid Dissociation Constant (pKa)

27.65

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with Y505-6780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y505-6780?
Check Price and Availability of Y505-6780, 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 Y505-6780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y505-6780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y505-6780
  • 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 Y505-6780 available by request