C087-1139 Screening compound: 3-(2-fluorophenyl)-1-[3-(3-methylpiperidin-1-yl)propyl]-1-[(thiophen-2-yl)methyl]thiourea

C087-1139 Screening compound: 3-(2-fluorophenyl)-1-[3-(3-methylpiperidin-1-yl)propyl]-1-[(thiophen-2-yl)methyl]thiourea
C087-1139 Screening compound: 3-(2-fluorophenyl)-1-[3-(3-methylpiperidin-1-yl)propyl]-1-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-1139
3-(2-fluorophenyl)-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

C087-1139

Molecular Formula

C21H28FN3S2 (C21 H28 FN3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC1CN(CCCN(Cc2cccs2)C(Nc(cccc2)c2F)=S)CCC1

InChI

InChI=1S/C21H28FN3S2/c1-17-7-4-11-24(15-17)12-6-13-25(16-18-8-5-14-27-18)21(26)23-20-10-3-2-9-19(20)22/h2-3,5,8-10,14,17H,4,6-7,11-13,15-16H2,1H3,(H,23,26)/t17-/m0/s1

InChI Key

GYSSFVINMKVPDR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14718381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.6

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

5.074

Distribution Coefficient, logD

3.036

Water Solubility, LogSw

-4.50

Polar Surface Area

14.643

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

9.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with C087-1139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-1139?
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What is the minimum amount of C087-1139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-1139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-1139
  • 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 C087-1139 available by request