Y503-3525 Screening compound: 4-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]anilino}-4-oxobutanoic acid

Y503-3525 Screening compound: 4-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]anilino}-4-oxobutanoic acid
Y503-3525 Screening compound: 4-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]anilino}-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-3525
4-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]anilino}-4-oxobutanoic acid

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

Y503-3525

Molecular Formula

C16H18BrN3O3 (C16 H18 BrN3 O3)

Compound Name

4-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]anilino}-4-oxobutanoic acid

IUPAC name

3-({3-[(4-bromo-35-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}carbamoyl)propanoic acid

SMILES

Cc(n(Cc1cc(NC(CCC(O)=O)=O)ccc1)nc1C)c1Br

InChI

InChI=1S/C16H18BrN3O3/c1-10-16(17)11(2)20(19-10)9-12-4-3-5-13(8-12)18-14(21)6-7-15(22)23/h3-5,8H,6-7,9H2,1-2H3,(H,18,21)(H,22,23)

InChI Key

DAUVXQSCVAFWJT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.355

Distribution Coefficient, logD

-1.594

Water Solubility, LogSw

-2.04

Polar Surface Area

66.053

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

References: we are preparing a list of scientific research reports with Y503-3525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-3525?
Check Price and Availability of Y503-3525, 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 Y503-3525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-3525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-3525
  • 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 Y503-3525 available by request