4554-1519 Screening compound: 4-[(4-methylpiperidin-1-yl)sulfonyl]-N-{4H-thiochromeno[4,3-d][1,3]thiazol-2-yl}benzamide

4554-1519 Screening compound: 4-[(4-methylpiperidin-1-yl)sulfonyl]-N-{4H-thiochromeno[4,3-d][1,3]thiazol-2-yl}benzamide
4554-1519 Screening compound: 4-[(4-methylpiperidin-1-yl)sulfonyl]-N-{4H-thiochromeno[4,3-d][1,3]thiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4554-1519
4-[(4-methylpiperidin-1-yl)sulfonyl]-N-{4H-thiochromeno[4,3-d][1,3]thiazol-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

4554-1519

Molecular Formula

C23H23N3O3S3 (C23 H23 N3 O3 S3)

Compound Name

4-[(4-methylpiperidin-1-yl)sulfonyl]-N-{4H-thiochromeno[4,3-d][1,3]thiazol-2-yl}benzamide

IUPAC name

4-[(4-methylpiperidin-1-yl)sulfonyl]-N-{4H-thiochromeno[43-d][13]thiazol-2-yl}benzamide

SMILES

CC(CC1)CCN1S(c(cc1)ccc1C(Nc1nc(-c(cccc2)c2SC2)c2s1)=O)(=O)=O

InChI

InChI=1S/C23H23N3O3S3/c1-15-10-12-26(13-11-15)32(28,29)17-8-6-16(7-9-17)22(27)25-23-24-21-18-4-2-3-5-19(18)30-14-20(21)31-23/h2-9,15H,10-14H2,1H3,(H,24,25,27)

InChI Key

FZLFBFBFJXJYFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04425309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.023

Distribution Coefficient, logD

4.990

Water Solubility, LogSw

-4.49

Polar Surface Area

65.597

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

4554-1519 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4554-1519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-1519?
Check Price and Availability of 4554-1519, 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 4554-1519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-1519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-1519
  • 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 4554-1519 available by request