D460-0003 Screening compound: 4-{[5-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}-N-[(4-methoxyphenyl)methyl]benzamide

D460-0003 Screening compound: 4-{[5-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}-N-[(4-methoxyphenyl)methyl]benzamide
D460-0003 Screening compound: 4-{[5-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}-N-[(4-methoxyphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D460-0003
4-{[5-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}-N-[(4-methoxyphenyl)methyl]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

D460-0003

Molecular Formula

C24H20ClN3O2S (C24 H20 ClN3 O2 S)

Compound Name

4-{[5-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}-N-[(4-methoxyphenyl)methyl]benzamide

IUPAC name

4-{[5-(4-chlorophenyl)-13-thiazol-2-yl]amino}-N-[(4-methoxyphenyl)methyl]benzamide

SMILES

COc1ccc(CNC(c(cc2)ccc2Nc2ncc(-c(cc3)ccc3Cl)s2)=O)cc1

InChI

InChI=1S/C24H20ClN3O2S/c1-30-21-12-2-16(3-13-21)14-26-23(29)18-6-10-20(11-7-18)28-24-27-15-22(31-24)17-4-8-19(25)9-5-17/h2-13,15H,14H2,1H3,(H,26,29)(H,27,28)

InChI Key

GAMOZPSURUIYCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.96

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.225

Distribution Coefficient, logD

6.225

Water Solubility, LogSw

-6.31

Polar Surface Area

51.404

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D460-0003 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 D460-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D460-0003?
Check Price and Availability of D460-0003, 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 D460-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D460-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D460-0003
  • 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 D460-0003 available by request