G554-0253 Screening compound: N-[(3-fluorophenyl)methyl]-4-{[(4-methylphenyl)methyl]amino}-3-(morpholine-4-sulfonyl)benzamide

G554-0253 Screening compound: N-[(3-fluorophenyl)methyl]-4-{[(4-methylphenyl)methyl]amino}-3-(morpholine-4-sulfonyl)benzamide
G554-0253 Screening compound: N-[(3-fluorophenyl)methyl]-4-{[(4-methylphenyl)methyl]amino}-3-(morpholine-4-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G554-0253
N-[(3-fluorophenyl)methyl]-4-{[(4-methylphenyl)methyl]amino}-3-(morpholine-4-sulfonyl)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

G554-0253

Molecular Formula

C26H28FN3O4S (C26 H28 FN3 O4 S)

Compound Name

N-[(3-fluorophenyl)methyl]-4-{[(4-methylphenyl)methyl]amino}-3-(morpholine-4-sulfonyl)benzamide

IUPAC name

N-[(3-fluorophenyl)methyl]-4-{[(4-methylphenyl)methyl]amino}-3-(morpholine-4-sulfonyl)benzamide

SMILES

Cc1ccc(CNc(ccc(C(NCc2cc(F)ccc2)=O)c2)c2S(N2CCOCC2)(=O)=O)cc1

InChI

InChI=1S/C26H28FN3O4S/c1-19-5-7-20(8-6-19)17-28-24-10-9-22(26(31)29-18-21-3-2-4-23(27)15-21)16-25(24)35(32,33)30-11-13-34-14-12-30/h2-10,15-16,28H,11-14,17-18H2,1H3,(H,29,31)

InChI Key

LNZRHXWIEZEPNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15019409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.677

Distribution Coefficient, logD

3.677

Water Solubility, LogSw

-3.84

Polar Surface Area

73.808

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

G554-0253 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 G554-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G554-0253?
Check Price and Availability of G554-0253, 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 G554-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G554-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G554-0253
  • 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 G554-0253 available by request