M785-1688 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~-isopropylacetamide

M785-1688 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~-isopropylacetamide
M785-1688 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~-isopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M785-1688
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~-isopropylacetamide

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

M785-1688

Molecular Formula

C22H26N4O6 (C22 H26 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~-isopropylacetamide

IUPAC name

2-(46-dioxo-5-{[(propan-2-yl)carbamoyl]methyl}-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

CC(C)NC(CN(C(c(oc1c2cccc1)c2N1CC(NCC2OCCC2)=O)=O)C1=O)=O

InChI

InChI=1S/C22H26N4O6/c1-13(2)24-18(28)12-26-21(29)20-19(15-7-3-4-8-16(15)32-20)25(22(26)30)11-17(27)23-10-14-6-5-9-31-14/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,23,27)(H,24,28)/t14-/m1/s1

InChI Key

NCBJHZIWTJDJRG-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27554054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.007

Distribution Coefficient, logD

1.007

Water Solubility, LogSw

-2.24

Polar Surface Area

97.415

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

M785-1688 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with M785-1688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M785-1688?
Check Price and Availability of M785-1688, 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 M785-1688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M785-1688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M785-1688
  • 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 M785-1688 available by request