F718-0618 Screening compound: N~1~-[2-(3,5-dimethyl-4-isoxazolyl)ethyl]-2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide

F718-0618 Screening compound: N~1~-[2-(3,5-dimethyl-4-isoxazolyl)ethyl]-2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide
F718-0618 Screening compound: N~1~-[2-(3,5-dimethyl-4-isoxazolyl)ethyl]-2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F718-0618
N~1~-[2-(3,5-dimethyl-4-isoxazolyl)ethyl]-2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide

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

F718-0618

Molecular Formula

C19H17FN4O2S2 (C19 H17 FN4 O2 S2)

Compound Name

N~1~-[2-(3,5-dimethyl-4-isoxazolyl)ethyl]-2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide

IUPAC name

N-[2-(35-dimethyl-12-oxazol-4-yl)ethyl]-2-({13-fluoro-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaen-6-yl}sulfanyl)acetamide

SMILES

Cc1noc(C)c1CCNC(CSc(ncnc12)c1sc1c2c(F)ccc1)=O

InChI

InChI=1S/C19H17FN4O2S2/c1-10-12(11(2)26-24-10)6-7-21-15(25)8-27-19-18-17(22-9-23-19)16-13(20)4-3-5-14(16)28-18/h3-5,9H,6-8H2,1-2H3,(H,21,25)

InChI Key

FRLJNFCRVCHSND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27642903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.296

Distribution Coefficient, logD

3.296

Water Solubility, LogSw

-3.85

Polar Surface Area

67.492

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

F718-0618 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with F718-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F718-0618?
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What is the minimum amount of F718-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F718-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F718-0618
  • 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 F718-0618 available by request