C087-1292 Screening compound: 3-(3,5-dimethylphenyl)-1-[3-(3-methylpiperidin-1-yl)propyl]-1-[(thiophen-2-yl)methyl]thiourea

C087-1292 Screening compound: 3-(3,5-dimethylphenyl)-1-[3-(3-methylpiperidin-1-yl)propyl]-1-[(thiophen-2-yl)methyl]thiourea
C087-1292 Screening compound: 3-(3,5-dimethylphenyl)-1-[3-(3-methylpiperidin-1-yl)propyl]-1-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-1292
3-(3,5-dimethylphenyl)-1-[3-(3-methylpiperidin-1-yl)propyl]-1-[(thiophen-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

C087-1292

Molecular Formula

C23H33N3S2 (C23 H33 N3 S2)

Compound Name

3-(3,5-dimethylphenyl)-1-[3-(3-methylpiperidin-1-yl)propyl]-1-[(thiophen-2-yl)methyl]thiourea

IUPAC name

3-(35-dimethylphenyl)-1-[3-(3-methylpiperidin-1-yl)propyl]-1-[(thiophen-2-yl)methyl]thiourea

SMILES

CC1CN(CCCN(Cc2cccs2)C(Nc2cc(C)cc(C)c2)=S)CCC1

InChI

InChI=1S/C23H33N3S2/c1-18-7-4-9-25(16-18)10-6-11-26(17-22-8-5-12-28-22)23(27)24-21-14-19(2)13-20(3)15-21/h5,8,12-15,18H,4,6-7,9-11,16-17H2,1-3H3,(H,24,27)/t18-/m0/s1

InChI Key

FMAJPZLUHPVWBP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14718406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.67

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.643

Distribution Coefficient, logD

3.606

Water Solubility, LogSw

-5.51

Polar Surface Area

15.341

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

9.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

C087-1292 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C087-1292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-1292?
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What is the minimum amount of C087-1292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-1292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-1292
  • 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 C087-1292 available by request