C267-0079 Screening compound: 3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-1-methyl-1-[2-(pyridin-2-yl)ethyl]thiourea

C267-0079 Screening compound: 3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-1-methyl-1-[2-(pyridin-2-yl)ethyl]thiourea
C267-0079 Screening compound: 3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-1-methyl-1-[2-(pyridin-2-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C267-0079
3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-1-methyl-1-[2-(pyridin-2-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

C267-0079

Molecular Formula

C25H32N6S (C25 H32 N6 S)

Compound Name

3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-1-methyl-1-[2-(pyridin-2-yl)ethyl]thiourea

IUPAC name

3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-1-methyl-1-[2-(pyridin-2-yl)ethyl]thiourea

SMILES

CCN(CC1)CCN1c1cc(C)c(cc(cc2)NC(N(C)CCc3ncccc3)=S)c2n1

InChI

InChI=1S/C25H32N6S/c1-4-30-13-15-31(16-14-30)24-17-19(2)22-18-21(8-9-23(22)28-24)27-25(32)29(3)12-10-20-7-5-6-11-26-20/h5-9,11,17-18H,4,10,12-16H2,1-3H3,(H,27,32)

InChI Key

RLWORQCECPMHFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.558

Distribution Coefficient, logD

3.870

Water Solubility, LogSw

-4.22

Polar Surface Area

34.944

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C267-0079 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C267-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C267-0079?
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What is the minimum amount of C267-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C267-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C267-0079
  • 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 C267-0079 available by request