8012-9641 Screening compound: 1-[4-(difluoromethoxy)phenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea

8012-9641 Screening compound: 1-[4-(difluoromethoxy)phenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
8012-9641 Screening compound: 1-[4-(difluoromethoxy)phenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9641
1-[4-(difluoromethoxy)phenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)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

8012-9641

Molecular Formula

C17H25F2N3OS (C17 H25 F2 N3 OS)

Compound Name

1-[4-(difluoromethoxy)phenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea

IUPAC name

1-[4-(difluoromethoxy)phenyl]-3-(2266-tetramethylpiperidin-4-yl)thiourea

SMILES

CC(C)(C1)NC(C)(C)CC1NC(Nc(cc1)ccc1OC(F)F)=S

InChI

InChI=1S/C17H25F2N3OS/c1-16(2)9-12(10-17(3,4)22-16)21-15(24)20-11-5-7-13(8-6-11)23-14(18)19/h5-8,12,14,22H,9-10H2,1-4H3,(H2,20,21,24)

InChI Key

LFXOPEBBUBETAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03231180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.794

Distribution Coefficient, logD

-0.454

Water Solubility, LogSw

-3.36

Polar Surface Area

37.835

Acid Dissociation Constant (pKa)

14.98

Base Dissociation Constant (pKb)

10.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.82

8012-9641 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-9641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9641?
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What is the minimum amount of 8012-9641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9641
  • 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 8012-9641 available by request