C087-0094 Screening compound: 3-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-3-yl)methyl]thiourea

C087-0094 Screening compound: 3-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-3-yl)methyl]thiourea
C087-0094 Screening compound: 3-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-3-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0094
3-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]-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

C087-0094

Molecular Formula

C21H20ClN3S (C21 H20 ClN3 S)

Compound Name

3-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-3-yl)methyl]thiourea

IUPAC name

3-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]-1-[(pyridin-3-yl)methyl]thiourea

SMILES

Cc1ccc(CN(Cc2cnccc2)C(Nc(cc2)ccc2Cl)=S)cc1

InChI

InChI=1S/C21H20ClN3S/c1-16-4-6-17(7-5-16)14-25(15-18-3-2-12-23-13-18)21(26)24-20-10-8-19(22)9-11-20/h2-13H,14-15H2,1H3,(H,24,26)

InChI Key

BBAGAFRRUHORCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.93

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.808

Distribution Coefficient, logD

4.808

Water Solubility, LogSw

-4.86

Polar Surface Area

19.946

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with C087-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0094?
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What is the minimum amount of C087-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0094
  • 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 C087-0094 available by request