D336-0503 Screening compound: N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide

D336-0503 Screening compound: N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
D336-0503 Screening compound: N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-0503
N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide

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

D336-0503

Molecular Formula

C22H17N3O2S3 (C22 H17 N3 O2 S3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nc(ccc(NC(c2cccs2)=O)c2)c2s1)N(CC1)c2c1cccc2

InChI

InChI=1S/C22H17N3O2S3/c26-20(25-10-9-14-4-1-2-5-17(14)25)13-29-22-24-16-8-7-15(12-19(16)30-22)23-21(27)18-6-3-11-28-18/h1-8,11-12H,9-10,13H2,(H,23,27)

InChI Key

UMKQFCWJWCQZLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.59

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

5.151

Distribution Coefficient, logD

5.151

Water Solubility, LogSw

-5.29

Polar Surface Area

48.581

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D336-0503 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D336-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-0503?
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What is the minimum amount of D336-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-0503
  • 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 D336-0503 available by request