C087-0758 Screening compound: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)-1-[(pyridin-3-yl)methyl]thiourea

C087-0758 Screening compound: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)-1-[(pyridin-3-yl)methyl]thiourea
C087-0758 Screening compound: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)-1-[(pyridin-3-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0758
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)-1-[(pyridin-3-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

C087-0758

Molecular Formula

C24H27N3O2S (C24 H27 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(N(CCc(cc2)cc(OC)c2OC)Cc2cnccc2)=S)c1

InChI

InChI=1S/C24H27N3O2S/c1-18-6-4-8-21(14-18)26-24(30)27(17-20-7-5-12-25-16-20)13-11-19-9-10-22(28-2)23(15-19)29-3/h4-10,12,14-16H,11,13,17H2,1-3H3,(H,26,30)

InChI Key

YNZZSAZHYDUNLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.949

Distribution Coefficient, logD

3.948

Water Solubility, LogSw

-3.81

Polar Surface Area

35.185

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C087-0758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0758?
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What is the minimum amount of C087-0758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0758
  • 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 C087-0758 available by request