F694-1100 Screening compound: N-(3-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-4-(morpholin-4-yl)phenyl)-3-methylbenzamide

F694-1100 Screening compound: N-(3-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-4-(morpholin-4-yl)phenyl)-3-methylbenzamide
F694-1100 Screening compound: N-(3-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-4-(morpholin-4-yl)phenyl)-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F694-1100
N-(3-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-4-(morpholin-4-yl)phenyl)-3-methylbenzamide

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

F694-1100

Molecular Formula

C26H27ClN4O4 (C26 H27 ClN4 O4)

Compound Name

N-(3-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-4-(morpholin-4-yl)phenyl)-3-methylbenzamide

IUPAC name

N-(3-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-4-(morpholin-4-yl)phenyl)-3-methylbenzamide

SMILES

Cc1cccc(C(Nc(cc2)cc(NC(Nc(cc(cc3)Cl)c3OC)=O)c2N2CCOCC2)=O)c1

InChI

InChI=1S/C26H27ClN4O4/c1-17-4-3-5-18(14-17)25(32)28-20-7-8-23(31-10-12-35-13-11-31)21(16-20)29-26(33)30-22-15-19(27)6-9-24(22)34-2/h3-9,14-16H,10-13H2,1-2H3,(H,28,32)(H2,29,30,33)

InChI Key

RWVKIWJZVCRYFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14964099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.024

Distribution Coefficient, logD

5.023

Water Solubility, LogSw

-5.11

Polar Surface Area

72.927

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

F694-1100 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 F694-1100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F694-1100?
Check Price and Availability of F694-1100, 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 F694-1100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F694-1100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F694-1100
  • 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 F694-1100 available by request