3342-1360 Screening compound: 1-[4-(difluoromethoxy)phenyl]-3-[(oxolan-2-yl)methyl]thiourea

3342-1360 Screening compound: 1-[4-(difluoromethoxy)phenyl]-3-[(oxolan-2-yl)methyl]thiourea
3342-1360 Screening compound: 1-[4-(difluoromethoxy)phenyl]-3-[(oxolan-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3342-1360
1-[4-(difluoromethoxy)phenyl]-3-[(oxolan-2-yl)methyl]thiourea

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

3342-1360

Molecular Formula

C13H16F2N2O2S (C13 H16 F2 N2 O2 S)

Compound Name

1-[4-(difluoromethoxy)phenyl]-3-[(oxolan-2-yl)methyl]thiourea

IUPAC name

1-[4-(difluoromethoxy)phenyl]-3-[(oxolan-2-yl)methyl]thiourea

SMILES

FC(Oc(cc1)ccc1NC(NCC1OCCC1)=S)F

InChI

InChI=1S/C13H16F2N2O2S/c14-12(15)19-10-5-3-9(4-6-10)17-13(20)16-8-11-2-1-7-18-11/h3-6,11-12H,1-2,7-8H2,(H2,16,17,20)/t11-/m1/s1

InChI Key

GLMXAWIDGIPXOB-LLVKDONJSA-N

MDL Number (MFCD)

MFCD04297074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.083

Distribution Coefficient, logD

2.083

Water Solubility, LogSw

-2.48

Polar Surface Area

35.642

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

3342-1360 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 3342-1360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3342-1360?
Check Price and Availability of 3342-1360, 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 3342-1360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3342-1360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3342-1360
  • 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 3342-1360 available by request