3338-5604 Screening compound: 4-(2,3-dihydro-1H-indole-1-sulfonyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

3338-5604 Screening compound: 4-(2,3-dihydro-1H-indole-1-sulfonyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
3338-5604 Screening compound: 4-(2,3-dihydro-1H-indole-1-sulfonyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-5604
4-(2,3-dihydro-1H-indole-1-sulfonyl)-N-[4-(4-methoxyphenyl)-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

3338-5604

Molecular Formula

C25H21N3O4S2 (C25 H21 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1csc(NC(c(cc2)ccc2S(N(CC2)c3c2cccc3)(=O)=O)=O)n1

InChI

InChI=1S/C25H21N3O4S2/c1-32-20-10-6-17(7-11-20)22-16-33-25(26-22)27-24(29)19-8-12-21(13-9-19)34(30,31)28-15-14-18-4-2-3-5-23(18)28/h2-13,16H,14-15H2,1H3,(H,26,27,29)

InChI Key

FRWPIPNLQPRJDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04415867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.404

Distribution Coefficient, logD

5.402

Water Solubility, LogSw

-5.37

Polar Surface Area

72.167

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

3338-5604 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Epigenetics Focused Set (26518 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 3338-5604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-5604?
Check Price and Availability of 3338-5604, 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 3338-5604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-5604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-5604
  • 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 3338-5604 available by request