4554-1539 Screening compound: N-{4H-chromeno[4,3-d][1,3]thiazol-2-yl}-4-(dibutylsulfamoyl)benzamide

4554-1539 Screening compound: N-{4H-chromeno[4,3-d][1,3]thiazol-2-yl}-4-(dibutylsulfamoyl)benzamide
4554-1539 Screening compound: N-{4H-chromeno[4,3-d][1,3]thiazol-2-yl}-4-(dibutylsulfamoyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4554-1539
N-{4H-chromeno[4,3-d][1,3]thiazol-2-yl}-4-(dibutylsulfamoyl)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

4554-1539

Molecular Formula

C25H29N3O4S2 (C25 H29 N3 O4 S2)

Compound Name

N-{4H-chromeno[4,3-d][1,3]thiazol-2-yl}-4-(dibutylsulfamoyl)benzamide

IUPAC name

N-{4H-chromeno[43-d][13]thiazol-2-yl}-4-(dibutylsulfamoyl)benzamide

SMILES

CCCCN(CCCC)S(c(cc1)ccc1C(Nc1nc(-c(cccc2)c2OC2)c2s1)=O)(=O)=O

InChI

InChI=1S/C25H29N3O4S2/c1-3-5-15-28(16-6-4-2)34(30,31)19-13-11-18(12-14-19)24(29)27-25-26-23-20-9-7-8-10-21(20)32-17-22(23)33-25/h7-14H,3-6,15-17H2,1-2H3,(H,26,27,29)

InChI Key

APINSTGFKUQPOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04425328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.921

Distribution Coefficient, logD

5.899

Water Solubility, LogSw

-5.44

Polar Surface Area

73.939

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

4554-1539 in Drug Discovery

Included in Screening Libraries

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 4554-1539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-1539?
Check Price and Availability of 4554-1539, 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 4554-1539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-1539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-1539
  • 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 4554-1539 available by request