C467-0130 Screening compound: 3-(2,5-dimethoxyphenyl)-1-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]thiourea

C467-0130 Screening compound: 3-(2,5-dimethoxyphenyl)-1-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]thiourea
C467-0130 Screening compound: 3-(2,5-dimethoxyphenyl)-1-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C467-0130
3-(2,5-dimethoxyphenyl)-1-[2-(morpholin-4-yl)-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

C467-0130

Molecular Formula

C20H26N4O3S (C20 H26 N4 O3 S)

Compound Name

3-(2,5-dimethoxyphenyl)-1-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]thiourea

IUPAC name

3-(25-dimethoxyphenyl)-1-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]thiourea

SMILES

COc(cc1)cc(NC(NCC(c2cnccc2)N2CCOCC2)=S)c1OC

InChI

InChI=1S/C20H26N4O3S/c1-25-16-5-6-19(26-2)17(12-16)23-20(28)22-14-18(15-4-3-7-21-13-15)24-8-10-27-11-9-24/h3-7,12-13,18H,8-11,14H2,1-2H3,(H2,22,23,28)/t18-/m0/s1

InChI Key

KXNHJWSJIQOVHG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04467286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.714

Distribution Coefficient, logD

1.670

Water Solubility, LogSw

-1.72

Polar Surface Area

55.275

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

6.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

C467-0130 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C467-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C467-0130?
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What is the minimum amount of C467-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C467-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C467-0130
  • 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 C467-0130 available by request