C467-0008 Screening compound: 1-(4-bromophenyl)-3-[2-(dimethylamino)-2-(pyridin-3-yl)ethyl]thiourea

C467-0008 Screening compound: 1-(4-bromophenyl)-3-[2-(dimethylamino)-2-(pyridin-3-yl)ethyl]thiourea
C467-0008 Screening compound: 1-(4-bromophenyl)-3-[2-(dimethylamino)-2-(pyridin-3-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C467-0008
1-(4-bromophenyl)-3-[2-(dimethylamino)-2-(pyridin-3-yl)ethyl]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

C467-0008

Molecular Formula

C16H19BrN4S (C16 H19 BrN4 S)

Compound Name

1-(4-bromophenyl)-3-[2-(dimethylamino)-2-(pyridin-3-yl)ethyl]thiourea

IUPAC name

1-(4-bromophenyl)-3-[2-(dimethylamino)-2-(pyridin-3-yl)ethyl]thiourea

SMILES

CN(C)C(CNC(Nc(cc1)ccc1Br)=S)c1cnccc1

InChI

InChI=1S/C16H19BrN4S/c1-21(2)15(12-4-3-9-18-10-12)11-19-16(22)20-14-7-5-13(17)6-8-14/h3-10,15H,11H2,1-2H3,(H2,19,20,22)/t15-/m0/s1

InChI Key

MLECHJAUEFEJDR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD04467248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.750

Distribution Coefficient, logD

1.447

Water Solubility, LogSw

-2.66

Polar Surface Area

32.243

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

8.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C467-0008 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C467-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C467-0008?
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What is the minimum amount of C467-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C467-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C467-0008
  • 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 C467-0008 available by request