F718-0581 Screening compound: N~1~-(3-ethoxypropyl)-2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide

F718-0581 Screening compound: N~1~-(3-ethoxypropyl)-2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide
F718-0581 Screening compound: N~1~-(3-ethoxypropyl)-2-[(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F718-0581
N~1~-(3-ethoxypropyl)-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

F718-0581

Molecular Formula

C17H18FN3O2S2 (C17 H18 FN3 O2 S2)

Compound Name

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

IUPAC name

N-(3-ethoxypropyl)-2-({13-fluoro-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaen-6-yl}sulfanyl)acetamide

SMILES

CCOCCCNC(CSc(ncnc12)c1sc1c2c(F)ccc1)=O

InChI

InChI=1S/C17H18FN3O2S2/c1-2-23-8-4-7-19-13(22)9-24-17-16-15(20-10-21-17)14-11(18)5-3-6-12(14)25-16/h3,5-6,10H,2,4,7-9H2,1H3,(H,19,22)

InChI Key

REAORDYBXZVYNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14964476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.126

Distribution Coefficient, logD

3.126

Water Solubility, LogSw

-3.39

Polar Surface Area

53.702

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

F718-0581 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with F718-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F718-0581?
Check Price and Availability of F718-0581, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F718-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F718-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F718-0581
  • 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 F718-0581 available by request