M785-1618 Screening compound: 2-[2,4-dioxo-1-{2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl]-N~1~-methylacetamide

M785-1618 Screening compound: 2-[2,4-dioxo-1-{2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl]-N~1~-methylacetamide
M785-1618 Screening compound: 2-[2,4-dioxo-1-{2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl]-N~1~-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M785-1618
2-[2,4-dioxo-1-{2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl]-N~1~-methylacetamide

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

M785-1618

Molecular Formula

C20H22N4O6 (C20 H22 N4 O6)

Compound Name

2-[2,4-dioxo-1-{2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl]-N~1~-methylacetamide

IUPAC name

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

SMILES

CNC(CN(C(c(oc1c2cccc1)c2N1CC(NCC2OCCC2)=O)=O)C1=O)=O

InChI

InChI=1S/C20H22N4O6/c1-21-15(25)10-24-19(27)18-17(13-6-2-3-7-14(13)30-18)23(20(24)28)11-16(26)22-9-12-5-4-8-29-12/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,21,25)(H,22,26)/t12-/m1/s1

InChI Key

ITEUCQQCIAQENM-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD27554053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.009

Distribution Coefficient, logD

0.009

Water Solubility, LogSw

-1.95

Polar Surface Area

98.591

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

M785-1618 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with M785-1618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M785-1618?
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What is the minimum amount of M785-1618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M785-1618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M785-1618
  • 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 M785-1618 available by request