Y501-4683 Screening compound: N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furamide

Y501-4683 Screening compound: N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furamide
Y501-4683 Screening compound: N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-4683
N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furamide

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

Y501-4683

Molecular Formula

C21H19BrClN5O2 (C21 H19 BrClN5 O2)

Compound Name

N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furamide

IUPAC name

N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}-5-[(4-chloro-35-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carboxamide

SMILES

Cc(n(Cc1ccc(C(Nc2ccc(Cn3ncc(Br)c3)cc2)=O)o1)nc1C)c1Cl

InChI

InChI=1S/C21H19BrClN5O2/c1-13-20(23)14(2)28(26-13)12-18-7-8-19(30-18)21(29)25-17-5-3-15(4-6-17)10-27-11-16(22)9-24-27/h3-9,11H,10,12H2,1-2H3,(H,25,29)

InChI Key

HDQVQSORBWPQHR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.846

Distribution Coefficient, logD

3.846

Water Solubility, LogSw

-4.40

Polar Surface Area

59.958

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

Y501-4683 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y501-4683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-4683?
Check Price and Availability of Y501-4683, 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 Y501-4683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-4683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-4683
  • 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 Y501-4683 available by request