1186-0377 Screening compound: N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dipropylsulfamoyl)benzamide

1186-0377 Screening compound: N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dipropylsulfamoyl)benzamide
1186-0377 Screening compound: N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dipropylsulfamoyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1186-0377
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dipropylsulfamoyl)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

1186-0377

Molecular Formula

C29H29N3O4S2 (C29 H29 N3 O4 S2)

Compound Name

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dipropylsulfamoyl)benzamide

IUPAC name

N-(5-benzoyl-4-phenyl-13-thiazol-2-yl)-4-(dipropylsulfamoyl)benzamide

SMILES

CCCN(CCC)S(c(cc1)ccc1C(Nc1nc(-c2ccccc2)c(C(c2ccccc2)=O)s1)=O)(=O)=O

InChI

InChI=1S/C29H29N3O4S2/c1-3-19-32(20-4-2)38(35,36)24-17-15-23(16-18-24)28(34)31-29-30-25(21-11-7-5-8-12-21)27(37-29)26(33)22-13-9-6-10-14-22/h5-18H,3-4,19-20H2,1-2H3,(H,30,31,34)

InChI Key

HAGSJUMWGWXYTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00994560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.550

Distribution Coefficient, logD

6.520

Water Solubility, LogSw

-5.85

Polar Surface Area

78.946

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

1186-0377 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 1186-0377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1186-0377?
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What is the minimum amount of 1186-0377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1186-0377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1186-0377
  • 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 1186-0377 available by request