C087-0331 Screening compound: 1-[3-(azepan-1-yl)propyl]-3-(4-chloro-3-methylphenyl)-1-[(furan-2-yl)methyl]thiourea

C087-0331 Screening compound: 1-[3-(azepan-1-yl)propyl]-3-(4-chloro-3-methylphenyl)-1-[(furan-2-yl)methyl]thiourea
C087-0331 Screening compound: 1-[3-(azepan-1-yl)propyl]-3-(4-chloro-3-methylphenyl)-1-[(furan-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0331
1-[3-(azepan-1-yl)propyl]-3-(4-chloro-3-methylphenyl)-1-[(furan-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

C087-0331

Molecular Formula

C22H30ClN3OS (C22 H30 ClN3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)NC(N(CCCN2CCCCCC2)Cc2ccco2)=S)c1Cl

InChI

InChI=1S/C22H30ClN3OS/c1-18-16-19(9-10-21(18)23)24-22(28)26(17-20-8-6-15-27-20)14-7-13-25-11-4-2-3-5-12-25/h6,8-10,15-16H,2-5,7,11-14,17H2,1H3,(H,24,28)

InChI Key

ZHHSSXHZSNYSHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.02

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

5.965

Distribution Coefficient, logD

3.928

Water Solubility, LogSw

-6.15

Polar Surface Area

22.469

Acid Dissociation Constant (pKa)

13.54

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 C087-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0331?
Check Price and Availability of C087-0331, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C087-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0331
  • 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 C087-0331 available by request