8012-9773 Screening compound: N-[4-(difluoromethoxy)phenyl]-N'-morpholinothiourea

8012-9773 Screening compound: N-[4-(difluoromethoxy)phenyl]-N'-morpholinothiourea
8012-9773 Screening compound: N-[4-(difluoromethoxy)phenyl]-N'-morpholinothiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9773
N-[4-(difluoromethoxy)phenyl]-N'-morpholinothiourea

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

8012-9773

Molecular Formula

C12H15F2N3O2S (C12 H15 F2 N3 O2 S)

Compound Name

N-[4-(difluoromethoxy)phenyl]-N'-morpholinothiourea

IUPAC name

1-[4-(difluoromethoxy)phenyl]-3-(morpholin-4-yl)thiourea

SMILES

FC(Oc(cc1)ccc1NC(NN1CCOCC1)=S)F

InChI

InChI=1S/C12H15F2N3O2S/c13-11(14)19-10-3-1-9(2-4-10)15-12(20)16-17-5-7-18-8-6-17/h1-4,11H,5-8H2,(H2,15,16,20)

InChI Key

HUCRNSQYUDPJFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03231181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.543

Distribution Coefficient, logD

1.539

Water Solubility, LogSw

-2.21

Polar Surface Area

39.536

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

8012-9773 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-9773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9773?
Check Price and Availability of 8012-9773, 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 8012-9773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9773
  • 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 8012-9773 available by request