C686-0594 Screening compound: 3-acetamido-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide

C686-0594 Screening compound: 3-acetamido-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
C686-0594 Screening compound: 3-acetamido-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C686-0594
3-acetamido-N-(3-fluorophenyl)-1-benzofuran-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

C686-0594

Molecular Formula

C17H13FN2O3 (C17 H13 FN2 O3)

Compound Name

3-acetamido-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide

IUPAC name

3-acetamido-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide

SMILES

CC(Nc1c(C(Nc2cccc(F)c2)=O)oc2c1cccc2)=O

InChI

InChI=1S/C17H13FN2O3/c1-10(21)19-15-13-7-2-3-8-14(13)23-16(15)17(22)20-12-6-4-5-11(18)9-12/h2-9H,1H3,(H,19,21)(H,20,22)

InChI Key

VBLMMUZRPIBVOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.476

Distribution Coefficient, logD

2.476

Water Solubility, LogSw

-3.00

Polar Surface Area

53.722

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

C686-0594 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C686-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C686-0594?
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What is the minimum amount of C686-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C686-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C686-0594
  • 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 C686-0594 available by request