Y500-6855 Screening compound: 4-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]benzamide

Y500-6855 Screening compound: 4-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]benzamide
Y500-6855 Screening compound: 4-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-6855
4-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]benzamide

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

Y500-6855

Molecular Formula

C22H23ClN4O4 (C22 H23 ClN4 O4)

Compound Name

4-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]benzamide

IUPAC name

4-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(35-dimethyl-1H-pyrazol-1-yl)propyl]benzamide

SMILES

Cc1cc(C)nn1CCCNC(c1ccc(COc(ccc([N+]([O-])=O)c2)c2Cl)cc1)=O

InChI

InChI=1S/C22H23ClN4O4/c1-15-12-16(2)26(25-15)11-3-10-24-22(28)18-6-4-17(5-7-18)14-31-21-9-8-19(27(29)30)13-20(21)23/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,24,28)

InChI Key

GWJGANXPLWLHAM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.045

Distribution Coefficient, logD

3.045

Water Solubility, LogSw

-3.56

Polar Surface Area

79.174

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

Y500-6855 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with Y500-6855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-6855?
Check Price and Availability of Y500-6855, 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 Y500-6855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-6855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-6855
  • 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 Y500-6855 available by request