C087-1222 Screening compound: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea

C087-1222 Screening compound: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea
C087-1222 Screening compound: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-1222
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]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

C087-1222

Molecular Formula

C24H24F3N3O2S (C24 H24 F3 N3 O2 S)

Compound Name

1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea

IUPAC name

1-[2-(34-dimethoxyphenyl)ethyl]-1-[(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea

SMILES

COc(ccc(CCN(Cc1ncccc1)C(Nc1cc(C(F)(F)F)ccc1)=S)c1)c1OC

InChI

InChI=1S/C24H24F3N3O2S/c1-31-21-10-9-17(14-22(21)32-2)11-13-30(16-20-7-3-4-12-28-20)23(33)29-19-8-5-6-18(15-19)24(25,26)27/h3-10,12,14-15H,11,13,16H2,1-2H3,(H,29,33)

InChI Key

KAGZPXGCKBXBSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.922

Distribution Coefficient, logD

4.922

Water Solubility, LogSw

-4.63

Polar Surface Area

35.210

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C087-1222 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 C087-1222 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C087-1222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-1222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-1222
  • 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 C087-1222 available by request