8016-4749 Screening compound: 1-phenyl-4-(3-thienyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione

8016-4749 Screening compound: 1-phenyl-4-(3-thienyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
8016-4749 Screening compound: 1-phenyl-4-(3-thienyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4749
1-phenyl-4-(3-thienyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione

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

8016-4749

Molecular Formula

C17H13NO3S (C17 H13 NO3 S)

Compound Name

1-phenyl-4-(3-thienyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione

IUPAC name

1-phenyl-4-(thiophen-3-yl)-1H2H3H4H5H7H-furo[34-b]pyridine-25-dione

SMILES

O=C1OCC(N(C(C2)=O)c3ccccc3)=C1C2c1cscc1

InChI

InChI=1S/C17H13NO3S/c19-15-8-13(11-6-7-22-10-11)16-14(9-21-17(16)20)18(15)12-4-2-1-3-5-12/h1-7,10,13H,8-9H2/t13-/m0/s1

InChI Key

UZQSJHJFJYFZSZ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD05856688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.117

Distribution Coefficient, logD

2.117

Water Solubility, LogSw

-2.64

Polar Surface Area

39.008

Acid Dissociation Constant (pKa)

18.10

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.65

8016-4749 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-4749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4749?
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What is the minimum amount of 8016-4749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4749
  • 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 8016-4749 available by request