4554-1537 Screening compound: N-{4H-CHROMENO[4,3-D][1,3]THIAZOL-2-YL}-4-[(2-METHYLPIPERIDIN-1-YL)SULFONYL]BENZAMIDE

4554-1537 Screening compound: N-{4H-CHROMENO[4,3-D][1,3]THIAZOL-2-YL}-4-[(2-METHYLPIPERIDIN-1-YL)SULFONYL]BENZAMIDE
4554-1537 Screening compound: N-{4H-CHROMENO[4,3-D][1,3]THIAZOL-2-YL}-4-[(2-METHYLPIPERIDIN-1-YL)SULFONYL]BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4554-1537
N-{4H-CHROMENO[4,3-D][1,3]THIAZOL-2-YL}-4-[(2-METHYLPIPERIDIN-1-YL)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

4554-1537

Molecular Formula

C23H23N3O4S2 (C23 H23 N3 O4 S2)

Compound Name

N-{4H-CHROMENO[4,3-D][1,3]THIAZOL-2-YL}-4-[(2-METHYLPIPERIDIN-1-YL)SULFONYL]BENZAMIDE

IUPAC name

n/a

SMILES

CC(CCCC1)N1S(c(cc1)ccc1C(Nc1nc(-c(cccc2)c2OC2)c2s1)=O)(=O)=O

InChI

InChI=1S/C23H23N3O4S2/c1-15-6-4-5-13-26(15)32(28,29)17-11-9-16(10-12-17)22(27)25-23-24-21-18-7-2-3-8-19(18)30-14-20(21)31-23/h2-3,7-12,15H,4-6,13-14H2,1H3,(H,24,25,27)/t15-/m0/s1

InChI Key

SDNZJISXXSXNNW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD04425326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.390

Distribution Coefficient, logD

4.369

Water Solubility, LogSw

-4.27

Polar Surface Area

74.108

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

4554-1537 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4554-1537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-1537?
Check Price and Availability of 4554-1537, 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 4554-1537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-1537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-1537
  • 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 4554-1537 available by request