3807-3029 Screening compound: 1-(4-butoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]thiourea

3807-3029 Screening compound: 1-(4-butoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]thiourea
3807-3029 Screening compound: 1-(4-butoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-3029
1-(4-butoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]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

3807-3029

Molecular Formula

C22H30N4OS (C22 H30 N4 OS)

Compound Name

1-(4-butoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]thiourea

IUPAC name

1-(4-butoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]thiourea

SMILES

CCCCOc(cc1)ccc1NC(Nc(cc1)ccc1N1CCN(C)CC1)=S

InChI

InChI=1S/C22H30N4OS/c1-3-4-17-27-21-11-7-19(8-12-21)24-22(28)23-18-5-9-20(10-6-18)26-15-13-25(2)14-16-26/h5-12H,3-4,13-17H2,1-2H3,(H2,23,24,28)

InChI Key

VIZVINQUFCXMGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01806976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.928

Distribution Coefficient, logD

4.360

Water Solubility, LogSw

-4.36

Polar Surface Area

33.408

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

3807-3029 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3807-3029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-3029?
Check Price and Availability of 3807-3029, 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 3807-3029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-3029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-3029
  • 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 3807-3029 available by request