D444-0157 Screening compound: N-{3-[(2,4-dimethoxyphenyl)[(pyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}benzamide

D444-0157 Screening compound: N-{3-[(2,4-dimethoxyphenyl)[(pyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}benzamide
D444-0157 Screening compound: N-{3-[(2,4-dimethoxyphenyl)[(pyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D444-0157
N-{3-[(2,4-dimethoxyphenyl)[(pyridin-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

D444-0157

Molecular Formula

C26H25N3O3S (C26 H25 N3 O3 S)

Compound Name

N-{3-[(2,4-dimethoxyphenyl)[(pyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}benzamide

IUPAC name

N-{3-[(24-dimethoxyphenyl)[(pyridin-2-yl)amino]methyl]-5-methylthiophen-2-yl}benzamide

SMILES

Cc1cc(C(c(ccc(OC)c2)c2OC)Nc2ncccc2)c(NC(c2ccccc2)=O)s1

InChI

InChI=1S/C26H25N3O3S/c1-17-15-21(26(33-17)29-25(30)18-9-5-4-6-10-18)24(28-23-11-7-8-14-27-23)20-13-12-19(31-2)16-22(20)32-3/h4-16,24H,1-3H3,(H,27,28)(H,29,30)/t24-/m1/s1

InChI Key

CIKFNAOYWIZKFD-XMMPIXPASA-N

MDL Number (MFCD)

MFCD27586391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.531

Distribution Coefficient, logD

5.510

Water Solubility, LogSw

-5.51

Polar Surface Area

57.228

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

D444-0157 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D444-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D444-0157?
Check Price and Availability of D444-0157, 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 D444-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D444-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D444-0157
  • 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 D444-0157 available by request