D336-0511 Screening compound: N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide

D336-0511 Screening compound: N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide
D336-0511 Screening compound: N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-0511
N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide

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

D336-0511

Molecular Formula

C21H21N3O2S2 (C21 H21 N3 O2 S2)

Compound Name

N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide

IUPAC name

N-(2-{[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-13-benzothiazol-6-yl)-2-methylpropanamide

SMILES

CC(C)C(Nc(cc1)cc2c1nc(SCC(N(CC1)c3c1cccc3)=O)s2)=O

InChI

InChI=1S/C21H21N3O2S2/c1-13(2)20(26)22-15-7-8-16-18(11-15)28-21(23-16)27-12-19(25)24-10-9-14-5-3-4-6-17(14)24/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,26)

InChI Key

FLDMJIGMBFGOEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.579

Distribution Coefficient, logD

4.579

Water Solubility, LogSw

-4.21

Polar Surface Area

47.834

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D336-0511 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D336-0511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-0511?
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What is the minimum amount of D336-0511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-0511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-0511
  • 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 D336-0511 available by request