M785-1827 Screening compound: 2-[3-[2-(allylamino)-2-oxoethyl]-2,4-dioxo[1]benzofuro[3,2-d]pyrimidin-1(2H,4H)-yl]acetamide

M785-1827 Screening compound: 2-[3-[2-(allylamino)-2-oxoethyl]-2,4-dioxo[1]benzofuro[3,2-d]pyrimidin-1(2H,4H)-yl]acetamide
M785-1827 Screening compound: 2-[3-[2-(allylamino)-2-oxoethyl]-2,4-dioxo[1]benzofuro[3,2-d]pyrimidin-1(2H,4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M785-1827
2-[3-[2-(allylamino)-2-oxoethyl]-2,4-dioxo[1]benzofuro[3,2-d]pyrimidin-1(2H,4H)-yl]acetamide

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

M785-1827

Molecular Formula

C17H16N4O5 (C17 H16 N4 O5)

Compound Name

2-[3-[2-(allylamino)-2-oxoethyl]-2,4-dioxo[1]benzofuro[3,2-d]pyrimidin-1(2H,4H)-yl]acetamide

IUPAC name

2-[3-(carbamoylmethyl)-46-dioxo-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-5-yl]-N-(prop-2-en-1-yl)acetamide

SMILES

C=CCNC(CN(C(c(oc1c2cccc1)c2N1CC(N)=O)=O)C1=O)=O

InChI

InChI=1S/C17H16N4O5/c1-2-7-19-13(23)9-21-16(24)15-14(20(17(21)25)8-12(18)22)10-5-3-4-6-11(10)26-15/h2-6H,1,7-9H2,(H2,18,22)(H,19,23)

InChI Key

KCOHFCOEMPEOGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27554055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.268

Distribution Coefficient, logD

0.268

Water Solubility, LogSw

-1.88

Polar Surface Area

98.816

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

M785-1827 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with M785-1827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M785-1827?
Check Price and Availability of M785-1827, 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 M785-1827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M785-1827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M785-1827
  • 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 M785-1827 available by request