C087-0443 Screening compound: 1-(4-ethylphenyl)-3-[(furan-2-yl)methyl]-3-[3-(3-methylpiperidin-1-yl)propyl]thiourea

C087-0443 Screening compound: 1-(4-ethylphenyl)-3-[(furan-2-yl)methyl]-3-[3-(3-methylpiperidin-1-yl)propyl]thiourea
C087-0443 Screening compound: 1-(4-ethylphenyl)-3-[(furan-2-yl)methyl]-3-[3-(3-methylpiperidin-1-yl)propyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0443
1-(4-ethylphenyl)-3-[(furan-2-yl)methyl]-3-[3-(3-methylpiperidin-1-yl)propyl]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

C087-0443

Molecular Formula

C23H33N3OS (C23 H33 N3 OS)

Compound Name

1-(4-ethylphenyl)-3-[(furan-2-yl)methyl]-3-[3-(3-methylpiperidin-1-yl)propyl]thiourea

IUPAC name

1-(4-ethylphenyl)-3-[(furan-2-yl)methyl]-3-[3-(3-methylpiperidin-1-yl)propyl]thiourea

SMILES

CCc(cc1)ccc1NC(N(CCCN1CC(C)CCC1)Cc1ccco1)=S

InChI

InChI=1S/C23H33N3OS/c1-3-20-9-11-21(12-10-20)24-23(28)26(18-22-8-5-16-27-22)15-6-14-25-13-4-7-19(2)17-25/h5,8-12,16,19H,3-4,6-7,13-15,17-18H2,1-2H3,(H,24,28)/t19-/m0/s1

InChI Key

UQGMWWFNFMKFNY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14718219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.456

Distribution Coefficient, logD

3.419

Water Solubility, LogSw

-5.29

Polar Surface Area

22.071

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

9.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

References: we are preparing a list of scientific research reports with C087-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0443?
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What is the minimum amount of C087-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0443
  • 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 C087-0443 available by request