E907-0040 Screening compound: 1-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methyl-2-nitrophenyl)urea

E907-0040 Screening compound: 1-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methyl-2-nitrophenyl)urea
E907-0040 Screening compound: 1-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methyl-2-nitrophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E907-0040
1-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methyl-2-nitrophenyl)urea

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

E907-0040

Molecular Formula

C23H26N6O3 (C23 H26 N6 O3)

Compound Name

1-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methyl-2-nitrophenyl)urea

IUPAC name

1-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methyl-2-nitrophenyl)urea

SMILES

Cc(cc1)cc([N+]([O-])=O)c1NC(Nc1cc2c(C)cc(N3CCN(C)CC3)nc2cc1)=O

InChI

InChI=1S/C23H26N6O3/c1-15-4-6-20(21(12-15)29(31)32)26-23(30)24-17-5-7-19-18(14-17)16(2)13-22(25-19)28-10-8-27(3)9-11-28/h4-7,12-14H,8-11H2,1-3H3,(H2,24,26,30)

InChI Key

GAMAMEQXFWEQFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.247

Distribution Coefficient, logD

4.677

Water Solubility, LogSw

-5.16

Polar Surface Area

79.647

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

E907-0040 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E907-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E907-0040?
Check Price and Availability of E907-0040, 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 E907-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E907-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E907-0040
  • 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 E907-0040 available by request