3339-1470 Screening compound: 4-(2,3-dihydro-1H-indole-1-sulfonyl)-N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

3339-1470 Screening compound: 4-(2,3-dihydro-1H-indole-1-sulfonyl)-N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]benzamide
3339-1470 Screening compound: 4-(2,3-dihydro-1H-indole-1-sulfonyl)-N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3339-1470
4-(2,3-dihydro-1H-indole-1-sulfonyl)-N-[2-(methylsulfanyl)-1,3-benzothiazol-6-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

3339-1470

Molecular Formula

C23H19N3O3S3 (C23 H19 N3 O3 S3)

Compound Name

4-(2,3-dihydro-1H-indole-1-sulfonyl)-N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

IUPAC name

4-(23-dihydro-1H-indole-1-sulfonyl)-N-[2-(methylsulfanyl)-13-benzothiazol-6-yl]benzamide

SMILES

CSc1nc(ccc(NC(c(cc2)ccc2S(N(CC2)c3c2cccc3)(=O)=O)=O)c2)c2s1

InChI

InChI=1S/C23H19N3O3S3/c1-30-23-25-19-11-8-17(14-21(19)31-23)24-22(27)16-6-9-18(10-7-16)32(28,29)26-13-12-15-4-2-3-5-20(15)26/h2-11,14H,12-13H2,1H3,(H,24,27)

InChI Key

SYMZWMNCUPAPJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04415999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.063

Distribution Coefficient, logD

5.061

Water Solubility, LogSw

-4.64

Polar Surface Area

63.929

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

3339-1470 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3339-1470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3339-1470?
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What is the minimum amount of 3339-1470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3339-1470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3339-1470
  • 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 3339-1470 available by request