C087-0688 Screening compound: 1-[3-(azepan-1-yl)propyl]-1-[(furan-2-yl)methyl]-3-(4-methylphenyl)thiourea

C087-0688 Screening compound: 1-[3-(azepan-1-yl)propyl]-1-[(furan-2-yl)methyl]-3-(4-methylphenyl)thiourea
C087-0688 Screening compound: 1-[3-(azepan-1-yl)propyl]-1-[(furan-2-yl)methyl]-3-(4-methylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0688
1-[3-(azepan-1-yl)propyl]-1-[(furan-2-yl)methyl]-3-(4-methylphenyl)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

C087-0688

Molecular Formula

C22H31N3OS (C22 H31 N3 OS)

Compound Name

1-[3-(azepan-1-yl)propyl]-1-[(furan-2-yl)methyl]-3-(4-methylphenyl)thiourea

IUPAC name

1-[3-(azepan-1-yl)propyl]-1-[(furan-2-yl)methyl]-3-(4-methylphenyl)thiourea

SMILES

Cc(cc1)ccc1NC(N(CCCN1CCCCCC1)Cc1ccco1)=S

InChI

InChI=1S/C22H31N3OS/c1-19-9-11-20(12-10-19)23-22(27)25(18-21-8-6-17-26-21)16-7-15-24-13-4-2-3-5-14-24/h6,8-12,17H,2-5,7,13-16,18H2,1H3,(H,23,27)

InChI Key

BDHHLINIZFSXIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.158

Distribution Coefficient, logD

3.121

Water Solubility, LogSw

-4.87

Polar Surface Area

22.469

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

9.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C087-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0688?
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What is the minimum amount of C087-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0688
  • 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 C087-0688 available by request