3339-1485 Screening compound: 4-(2,3-dihydro-1H-indole-1-sulfonyl)-N-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]benzamide

3339-1485 Screening compound: 4-(2,3-dihydro-1H-indole-1-sulfonyl)-N-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]benzamide
3339-1485 Screening compound: 4-(2,3-dihydro-1H-indole-1-sulfonyl)-N-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3339-1485
4-(2,3-dihydro-1H-indole-1-sulfonyl)-N-[4-(2-oxo-2H-chromen-3-yl)-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

3339-1485

Molecular Formula

C27H19N3O5S2 (C27 H19 N3 O5 S2)

Compound Name

4-(2,3-dihydro-1H-indole-1-sulfonyl)-N-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]benzamide

IUPAC name

4-(23-dihydro-1H-indole-1-sulfonyl)-N-[4-(2-oxo-2H-chromen-3-yl)-13-thiazol-2-yl]benzamide

SMILES

O=C(c(cc1)ccc1S(N(CC1)c2c1cccc2)(=O)=O)Nc1nc(C2=Cc(cccc3)c3OC2=O)cs1

InChI

InChI=1S/C27H19N3O5S2/c31-25(29-27-28-22(16-36-27)21-15-19-6-2-4-8-24(19)35-26(21)32)18-9-11-20(12-10-18)37(33,34)30-14-13-17-5-1-3-7-23(17)30/h1-12,15-16H,13-14H2,(H,28,29,31)

InChI Key

JZEQGTJMRZCQRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04416012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.857

Distribution Coefficient, logD

4.471

Water Solubility, LogSw

-4.90

Polar Surface Area

85.545

Acid Dissociation Constant (pKa)

7.24

Base Dissociation Constant (pKb)

-4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

3339-1485 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 3339-1485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3339-1485?
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What is the minimum amount of 3339-1485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3339-1485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3339-1485
  • 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 3339-1485 available by request