C087-1029 Screening compound: 1-[2-(azepan-1-yl)ethyl]-3-(2,6-dimethylphenyl)-1-[(thiophen-2-yl)methyl]thiourea

C087-1029 Screening compound: 1-[2-(azepan-1-yl)ethyl]-3-(2,6-dimethylphenyl)-1-[(thiophen-2-yl)methyl]thiourea
C087-1029 Screening compound: 1-[2-(azepan-1-yl)ethyl]-3-(2,6-dimethylphenyl)-1-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-1029
1-[2-(azepan-1-yl)ethyl]-3-(2,6-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

C087-1029

Molecular Formula

C22H31N3S2 (C22 H31 N3 S2)

Compound Name

1-[2-(azepan-1-yl)ethyl]-3-(2,6-dimethylphenyl)-1-[(thiophen-2-yl)methyl]thiourea

IUPAC name

1-[2-(azepan-1-yl)ethyl]-3-(26-dimethylphenyl)-1-[(thiophen-2-yl)methyl]thiourea

SMILES

Cc1cccc(C)c1NC(N(CCN1CCCCCC1)Cc1cccs1)=S

InChI

InChI=1S/C22H31N3S2/c1-18-9-7-10-19(2)21(18)23-22(26)25(17-20-11-8-16-27-20)15-14-24-12-5-3-4-6-13-24/h7-11,16H,3-6,12-15,17H2,1-2H3,(H,23,26)

InChI Key

SZRIXWGOKZELSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.64

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.231

Distribution Coefficient, logD

2.415

Water Solubility, LogSw

-4.93

Polar Surface Area

14.343

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

10.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C087-1029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-1029?
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What is the minimum amount of C087-1029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-1029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-1029
  • 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 C087-1029 available by request