D336-0549 Screening compound: N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-fluorobenzamide

D336-0549 Screening compound: N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-fluorobenzamide
D336-0549 Screening compound: N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-0549
N-(2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-fluorobenzamide

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

D336-0549

Molecular Formula

C24H18FN3O2S2 (C24 H18 FN3 O2 S2)

Compound Name

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

IUPAC name

N-(2-{[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-13-benzothiazol-6-yl)-3-fluorobenzamide

SMILES

O=C(CSc1nc(ccc(NC(c2cc(F)ccc2)=O)c2)c2s1)N(CC1)c2c1cccc2

InChI

InChI=1S/C24H18FN3O2S2/c25-17-6-3-5-16(12-17)23(30)26-18-8-9-19-21(13-18)32-24(27-19)31-14-22(29)28-11-10-15-4-1-2-7-20(15)28/h1-9,12-13H,10-11,14H2,(H,26,30)

InChI Key

AWBMAAROKNGKGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

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

5.361

Distribution Coefficient, logD

5.357

Water Solubility, LogSw

-5.70

Polar Surface Area

47.563

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D336-0549 in Drug Discovery

Included in Screening Libraries

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 D336-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-0549?
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What is the minimum amount of D336-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-0549
  • 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 D336-0549 available by request