8011-6338 Screening compound: 2-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-octahydro-1H-isoindole-1,3-dione

8011-6338 Screening compound: 2-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-octahydro-1H-isoindole-1,3-dione
8011-6338 Screening compound: 2-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-octahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6338
2-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-octahydro-1H-isoindole-1,3-dione

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

8011-6338

Molecular Formula

C25H23N3O3S2 (C25 H23 N3 O3 S2)

Compound Name

2-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-octahydro-1H-isoindole-1,3-dione

IUPAC name

2-(2-{[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-13-benzothiazol-6-yl)-octahydro-1H-isoindole-13-dione

SMILES

O=C(CSc1nc(ccc(N(C(C2C3CCCC2)=O)C3=O)c2)c2s1)N(CC1)c2c1cccc2

InChI

InChI=1S/C25H23N3O3S2/c29-22(27-12-11-15-5-1-4-8-20(15)27)14-32-25-26-19-10-9-16(13-21(19)33-25)28-23(30)17-6-2-3-7-18(17)24(28)31/h1,4-5,8-10,13,17-18H,2-3,6-7,11-12,14H2

InChI Key

KKKIQZSJLMKDCY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.134

Distribution Coefficient, logD

4.134

Water Solubility, LogSw

-4.34

Polar Surface Area

53.305

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with 8011-6338 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6338
  • 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 8011-6338 available by request