F042-0700 Screening compound: 3-[4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)urea

F042-0700 Screening compound: 3-[4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)urea
F042-0700 Screening compound: 3-[4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F042-0700
3-[4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)urea

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

F042-0700

Molecular Formula

C20H24N4O5S (C20 H24 N4 O5 S)

Compound Name

3-[4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)urea

IUPAC name

3-[4-(2-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-13-thiazol-2-yl]-1-(2-methoxyphenyl)urea

SMILES

COc(cccc1)c1NC(Nc1nc(CC(N(CC2)CCC22OCCO2)=O)cs1)=O

InChI

InChI=1S/C20H24N4O5S/c1-27-16-5-3-2-4-15(16)22-18(26)23-19-21-14(13-30-19)12-17(25)24-8-6-20(7-9-24)28-10-11-29-20/h2-5,13H,6-12H2,1H3,(H2,21,22,23,26)

InChI Key

WGWQJNRFCNMHKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09240466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.352

Distribution Coefficient, logD

2.352

Water Solubility, LogSw

-2.85

Polar Surface Area

80.573

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

F042-0700 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

PI3K-Targeted Library (17255 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F042-0700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F042-0700?
Check Price and Availability of F042-0700, 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 F042-0700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F042-0700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F042-0700
  • 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 F042-0700 available by request