M595-0634 Screening compound: 1-(2-chloro-4-methylphenyl)-3-[(2-phenylpyridin-3-yl)methyl]urea

M595-0634 Screening compound: 1-(2-chloro-4-methylphenyl)-3-[(2-phenylpyridin-3-yl)methyl]urea
M595-0634 Screening compound: 1-(2-chloro-4-methylphenyl)-3-[(2-phenylpyridin-3-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound M595-0634
1-(2-chloro-4-methylphenyl)-3-[(2-phenylpyridin-3-yl)methyl]urea

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

M595-0634

Molecular Formula

C20H18ClN3O (C20 H18 ClN3 O)

Compound Name

1-(2-chloro-4-methylphenyl)-3-[(2-phenylpyridin-3-yl)methyl]urea

IUPAC name

1-(2-chloro-4-methylphenyl)-3-[(2-phenylpyridin-3-yl)methyl]urea

SMILES

Cc(cc1)cc(Cl)c1NC(NCc1c(-c2ccccc2)nccc1)=O

InChI

InChI=1S/C20H18ClN3O/c1-14-9-10-18(17(21)12-14)24-20(25)23-13-16-8-5-11-22-19(16)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H2,23,24,25)

InChI Key

URXINAFNWAMSHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27548568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.84

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.233

Distribution Coefficient, logD

4.229

Water Solubility, LogSw

-4.45

Polar Surface Area

42.712

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

M595-0634 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with M595-0634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M595-0634?
Check Price and Availability of M595-0634, 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 M595-0634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M595-0634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M595-0634
  • 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 M595-0634 available by request