D491-6659 Screening compound: N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-2-oxo-2H-chromene-3-carboxamide

D491-6659 Screening compound: N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-2-oxo-2H-chromene-3-carboxamide
D491-6659 Screening compound: N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-6659
N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-2-oxo-2H-chromene-3-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

D491-6659

Molecular Formula

C17H11N3O3S2 (C17 H11 N3 O3 S2)

Compound Name

N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-2-oxo-2H-chromene-3-carboxamide

IUPAC name

N-[3-(5-methylthiophen-2-yl)-124-thiadiazol-5-yl]-2-oxo-2H-chromene-3-carboxamide

SMILES

Cc1ccc(-c2nsc(NC(C3=Cc(cccc4)c4OC3=O)=O)n2)s1

InChI

InChI=1S/C17H11N3O3S2/c1-9-6-7-13(24-9)14-18-17(25-20-14)19-15(21)11-8-10-4-2-3-5-12(10)23-16(11)22/h2-8H,1H3,(H,18,19,20,21)

InChI Key

NUVHIRADYNLLKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14832545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.241

Distribution Coefficient, logD

4.095

Water Solubility, LogSw

-4.49

Polar Surface Area

65.857

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

-5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

D491-6659 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with D491-6659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-6659?
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What is the minimum amount of D491-6659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-6659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-6659
  • 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 D491-6659 available by request