8017-7179 Screening compound: methyl 3-{[(4-fluoro-1-naphthyl)sulfonyl]amino}-4-methoxybenzoate

8017-7179 Screening compound: methyl 3-{[(4-fluoro-1-naphthyl)sulfonyl]amino}-4-methoxybenzoate
8017-7179 Screening compound: methyl 3-{[(4-fluoro-1-naphthyl)sulfonyl]amino}-4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7179
methyl 3-{[(4-fluoro-1-naphthyl)sulfonyl]amino}-4-methoxybenzoate

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

8017-7179

Molecular Formula

C19H16FNO5S (C19 H16 FNO5 S)

Compound Name

methyl 3-{[(4-fluoro-1-naphthyl)sulfonyl]amino}-4-methoxybenzoate

IUPAC name

methyl 3-(4-fluoronaphthalene-1-sulfonamido)-4-methoxybenzoate

SMILES

COC(c(cc1)cc(NS(c(c2ccccc22)ccc2F)(=O)=O)c1OC)=O

InChI

InChI=1S/C19H16FNO5S/c1-25-17-9-7-12(19(22)26-2)11-16(17)21-27(23,24)18-10-8-15(20)13-5-3-4-6-14(13)18/h3-11,21H,1-2H3

InChI Key

SACYRGOITGWDBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.061

Distribution Coefficient, logD

1.961

Water Solubility, LogSw

-4.32

Polar Surface Area

68.723

Acid Dissociation Constant (pKa)

5.30

Base Dissociation Constant (pKb)

-10.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.53

8017-7179 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-7179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7179?
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What is the minimum amount of 8017-7179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7179
  • 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 8017-7179 available by request