C087-0671 Screening compound: 1-(4-methylphenyl)-3-[3-(pyrrolidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea

C087-0671 Screening compound: 1-(4-methylphenyl)-3-[3-(pyrrolidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea
C087-0671 Screening compound: 1-(4-methylphenyl)-3-[3-(pyrrolidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0671
1-(4-methylphenyl)-3-[3-(pyrrolidin-1-yl)propyl]-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

C087-0671

Molecular Formula

C20H27N3S2 (C20 H27 N3 S2)

Compound Name

1-(4-methylphenyl)-3-[3-(pyrrolidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea

IUPAC name

1-(4-methylphenyl)-3-[3-(pyrrolidin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea

SMILES

Cc(cc1)ccc1NC(N(CCCN1CCCC1)Cc1cccs1)=S

InChI

InChI=1S/C20H27N3S2/c1-17-7-9-18(10-8-17)21-20(24)23(16-19-6-4-15-25-19)14-5-13-22-11-2-3-12-22/h4,6-10,15H,2-3,5,11-14,16H2,1H3,(H,21,24)

InChI Key

QKMMSSDCYCDFNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.59

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

4.722

Distribution Coefficient, logD

2.226

Water Solubility, LogSw

-4.24

Polar Surface Area

15.773

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with C087-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0671?
Check Price and Availability of C087-0671, 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 C087-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0671
  • 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 C087-0671 available by request