C087-0374 Screening compound: 3-[3-(3-methylpiperidin-1-yl)propyl]-1-(4-phenoxyphenyl)-3-[(thiophen-2-yl)methyl]thiourea

C087-0374 Screening compound: 3-[3-(3-methylpiperidin-1-yl)propyl]-1-(4-phenoxyphenyl)-3-[(thiophen-2-yl)methyl]thiourea
C087-0374 Screening compound: 3-[3-(3-methylpiperidin-1-yl)propyl]-1-(4-phenoxyphenyl)-3-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0374
3-[3-(3-methylpiperidin-1-yl)propyl]-1-(4-phenoxyphenyl)-3-[(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

C087-0374

Molecular Formula

C27H33N3OS2 (C27 H33 N3 OS2)

Compound Name

3-[3-(3-methylpiperidin-1-yl)propyl]-1-(4-phenoxyphenyl)-3-[(thiophen-2-yl)methyl]thiourea

IUPAC name

3-[3-(3-methylpiperidin-1-yl)propyl]-1-(4-phenoxyphenyl)-3-[(thiophen-2-yl)methyl]thiourea

SMILES

CC1CN(CCCN(Cc2cccs2)C(Nc(cc2)ccc2Oc2ccccc2)=S)CCC1

InChI

InChI=1S/C27H33N3OS2/c1-22-8-5-16-29(20-22)17-7-18-30(21-26-11-6-19-33-26)27(32)28-23-12-14-25(15-13-23)31-24-9-3-2-4-10-24/h2-4,6,9-15,19,22H,5,7-8,16-18,20-21H2,1H3,(H,28,32)/t22-/m0/s1

InChI Key

YDHJARUXQBASTH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14718192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.640

Distribution Coefficient, logD

4.603

Water Solubility, LogSw

-5.79

Polar Surface Area

22.088

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

9.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

C087-0374 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C087-0374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0374?
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What is the minimum amount of C087-0374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0374
  • 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 C087-0374 available by request