D444-0120 Screening compound: N-{3-[(2-fluorophenyl)[(6-methylpyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}benzamide

D444-0120 Screening compound: N-{3-[(2-fluorophenyl)[(6-methylpyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}benzamide
D444-0120 Screening compound: N-{3-[(2-fluorophenyl)[(6-methylpyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D444-0120
N-{3-[(2-fluorophenyl)[(6-methylpyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}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

D444-0120

Molecular Formula

C25H22FN3OS (C25 H22 FN3 OS)

Compound Name

N-{3-[(2-fluorophenyl)[(6-methylpyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}benzamide

IUPAC name

N-{3-[(2-fluorophenyl)[(6-methylpyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}benzamide

SMILES

Cc1cc(C(c(cccc2)c2F)Nc2nc(C)ccc2)c(NC(c2ccccc2)=O)s1

InChI

InChI=1S/C25H22FN3OS/c1-16-9-8-14-22(27-16)28-23(19-12-6-7-13-21(19)26)20-15-17(2)31-25(20)29-24(30)18-10-4-3-5-11-18/h3-15,23H,1-2H3,(H,27,28)(H,29,30)/t23-/m1/s1

InChI Key

ZXMSIUHKFRCLHH-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD27586378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.031

Distribution Coefficient, logD

5.994

Water Solubility, LogSw

-5.55

Polar Surface Area

41.428

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

6.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

D444-0120 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D444-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D444-0120?
Check Price and Availability of D444-0120, 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 D444-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D444-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D444-0120
  • 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 D444-0120 available by request