C087-0955 Screening compound: 1-benzyl-1-[(thiophen-2-yl)methyl]-3-(2,4,6-trimethylphenyl)thiourea

C087-0955 Screening compound: 1-benzyl-1-[(thiophen-2-yl)methyl]-3-(2,4,6-trimethylphenyl)thiourea
C087-0955 Screening compound: 1-benzyl-1-[(thiophen-2-yl)methyl]-3-(2,4,6-trimethylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0955
1-benzyl-1-[(thiophen-2-yl)methyl]-3-(2,4,6-trimethylphenyl)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

C087-0955

Molecular Formula

C22H24N2S2 (C22 H24 N2 S2)

Compound Name

1-benzyl-1-[(thiophen-2-yl)methyl]-3-(2,4,6-trimethylphenyl)thiourea

IUPAC name

1-benzyl-1-[(thiophen-2-yl)methyl]-3-(246-trimethylphenyl)thiourea

SMILES

Cc(cc1C)cc(C)c1NC(N(Cc1cccs1)Cc1ccccc1)=S

InChI

InChI=1S/C22H24N2S2/c1-16-12-17(2)21(18(3)13-16)23-22(25)24(15-20-10-7-11-26-20)14-19-8-5-4-6-9-19/h4-13H,14-15H2,1-3H3,(H,23,25)

InChI Key

LRRBWBXDSBRVFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.58

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.733

Distribution Coefficient, logD

5.733

Water Solubility, LogSw

-5.57

Polar Surface Area

10.051

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C087-0955 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C087-0955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0955?
Check Price and Availability of C087-0955, 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 C087-0955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0955
  • 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 C087-0955 available by request