M509-0181 Screening compound: methyl 3-{[(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)carbamoyl]amino}thiophene-2-carboxylate

M509-0181 Screening compound: methyl 3-{[(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)carbamoyl]amino}thiophene-2-carboxylate
M509-0181 Screening compound: methyl 3-{[(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)carbamoyl]amino}thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M509-0181
methyl 3-{[(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)carbamoyl]amino}thiophene-2-carboxylate

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

M509-0181

Molecular Formula

C17H18N4O3S (C17 H18 N4 O3 S)

Compound Name

methyl 3-{[(2-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)carbamoyl]amino}thiophene-2-carboxylate

IUPAC name

methyl 3-{[(2-{1-methyl-1H-pyrrolo[23-b]pyridin-3-yl}ethyl)carbamoyl]amino}thiophene-2-carboxylate

SMILES

Cn1c(nccc2)c2c(CCNC(Nc2c(C(OC)=O)scc2)=O)c1

InChI

InChI=1S/C17H18N4O3S/c1-21-10-11(12-4-3-7-18-15(12)21)5-8-19-17(23)20-13-6-9-25-14(13)16(22)24-2/h3-4,6-7,9-10H,5,8H2,1-2H3,(H2,19,20,23)

InChI Key

SBKFJNMYRQKMHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27545231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.859

Distribution Coefficient, logD

1.843

Water Solubility, LogSw

-2.36

Polar Surface Area

67.666

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

M509-0181 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Hsp90-Targeted Library (11355 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M509-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M509-0181?
Check Price and Availability of M509-0181, 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 M509-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M509-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M509-0181
  • 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 M509-0181 available by request