C087-0464 Screening compound: 1-(3,4-dimethylphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea

C087-0464 Screening compound: 1-(3,4-dimethylphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea
C087-0464 Screening compound: 1-(3,4-dimethylphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C087-0464
1-(3,4-dimethylphenyl)-3-[3-(4-methylpiperazin-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

C087-0464

Molecular Formula

C22H32N4S2 (C22 H32 N4 S2)

Compound Name

1-(3,4-dimethylphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea

IUPAC name

1-(34-dimethylphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-3-[(thiophen-2-yl)methyl]thiourea

SMILES

Cc(cc1)c(C)cc1NC(N(CCCN1CCN(C)CC1)Cc1cccs1)=S

InChI

InChI=1S/C22H32N4S2/c1-18-7-8-20(16-19(18)2)23-22(27)26(17-21-6-4-15-28-21)10-5-9-25-13-11-24(3)12-14-25/h4,6-8,15-16H,5,9-14,17H2,1-3H3,(H,23,27)

InChI Key

RPKPBLGOGRELES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14718224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.66

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

4.457

Distribution Coefficient, logD

3.642

Water Solubility, LogSw

-4.09

Polar Surface Area

18.884

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C087-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C087-0464?
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What is the minimum amount of C087-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C087-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C087-0464
  • 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 C087-0464 available by request