M509-0059 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)urea

M509-0059 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)urea
M509-0059 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound M509-0059
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)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

M509-0059

Molecular Formula

C20H22N4O3 (C20 H22 N4 O3)

Compound Name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)urea

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-3-(2-{1-ethyl-1H-pyrrolo[23-b]pyridin-3-yl}ethyl)urea

SMILES

CCn1c(nccc2)c2c(CCNC(Nc(cc2)cc3c2OCCO3)=O)c1

InChI

InChI=1S/C20H22N4O3/c1-2-24-13-14(16-4-3-8-21-19(16)24)7-9-22-20(25)23-15-5-6-17-18(12-15)27-11-10-26-17/h3-6,8,12-13H,2,7,9-11H2,1H3,(H2,22,23,25)

InChI Key

NQYJTDZTGUJNJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27545171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.726

Distribution Coefficient, logD

1.719

Water Solubility, LogSw

-2.22

Polar Surface Area

61.163

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

5.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

M509-0059 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with M509-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M509-0059?
Check Price and Availability of M509-0059, 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 M509-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M509-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M509-0059
  • 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 M509-0059 available by request