D491-3609 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide

D491-3609 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide
D491-3609 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-3609
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]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

D491-3609

Molecular Formula

C24H18N4O3S (C24 H18 N4 O3 S)

Compound Name

N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide

IUPAC name

N-[3-(13-benzothiazol-2-yl)phenyl]-4-[(4-methyl-125-oxadiazol-3-yl)methoxy]benzamide

SMILES

Cc1nonc1COc(cc1)ccc1C(Nc1cccc(-c2nc(cccc3)c3s2)c1)=O

InChI

InChI=1S/C24H18N4O3S/c1-15-21(28-31-27-15)14-30-19-11-9-16(10-12-19)23(29)25-18-6-4-5-17(13-18)24-26-20-7-2-3-8-22(20)32-24/h2-13H,14H2,1H3,(H,25,29)

InChI Key

OYVVDYUUIMMESJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14832408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.306

Distribution Coefficient, logD

5.306

Water Solubility, LogSw

-5.35

Polar Surface Area

77.467

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D491-3609 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D491-3609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-3609?
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What is the minimum amount of D491-3609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-3609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-3609
  • 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 D491-3609 available by request