C087-1312 Screening compound: 1-benzyl-3-(3,5-dimethylphenyl)-1-[(thiophen-2-yl)methyl]thiourea

C087-1312 Screening compound: 1-benzyl-3-(3,5-dimethylphenyl)-1-[(thiophen-2-yl)methyl]thiourea
C087-1312 Screening compound: 1-benzyl-3-(3,5-dimethylphenyl)-1-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-1312
1-benzyl-3-(3,5-dimethylphenyl)-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

C087-1312

Molecular Formula

C21H22N2S2 (C21 H22 N2 S2)

Compound Name

1-benzyl-3-(3,5-dimethylphenyl)-1-[(thiophen-2-yl)methyl]thiourea

IUPAC name

1-benzyl-3-(35-dimethylphenyl)-1-[(thiophen-2-yl)methyl]thiourea

SMILES

Cc1cc(NC(N(Cc2cccs2)Cc2ccccc2)=S)cc(C)c1

InChI

InChI=1S/C21H22N2S2/c1-16-11-17(2)13-19(12-16)22-21(24)23(15-20-9-6-10-25-20)14-18-7-4-3-5-8-18/h3-13H,14-15H2,1-2H3,(H,22,24)

InChI Key

CBAJHJNLOBCENX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.55

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

5.751

Distribution Coefficient, logD

5.751

Water Solubility, LogSw

-5.60

Polar Surface Area

11.446

Acid Dissociation Constant (pKa)

15.75

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with C087-1312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-1312?
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What is the minimum amount of C087-1312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-1312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-1312
  • 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 C087-1312 available by request