M785-1420 Screening compound: 2-[1-(3,4-dimethylbenzyl)-2,4-dioxo-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl]-N~1~-isopropylacetamide

M785-1420 Screening compound: 2-[1-(3,4-dimethylbenzyl)-2,4-dioxo-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl]-N~1~-isopropylacetamide
M785-1420 Screening compound: 2-[1-(3,4-dimethylbenzyl)-2,4-dioxo-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl]-N~1~-isopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M785-1420
2-[1-(3,4-dimethylbenzyl)-2,4-dioxo-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

M785-1420

Molecular Formula

C24H25N3O4 (C24 H25 N3 O4)

Compound Name

2-[1-(3,4-dimethylbenzyl)-2,4-dioxo-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl]-N~1~-isopropylacetamide

IUPAC name

2-{3-[(34-dimethylphenyl)methyl]-46-dioxo-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-5-yl}-N-(propan-2-yl)acetamide

SMILES

CC(C)NC(CN(C(c(oc1c2cccc1)c2N1Cc2cc(C)c(C)cc2)=O)C1=O)=O

InChI

InChI=1S/C24H25N3O4/c1-14(2)25-20(28)13-27-23(29)22-21(18-7-5-6-8-19(18)31-22)26(24(27)30)12-17-10-9-15(3)16(4)11-17/h5-11,14H,12-13H2,1-4H3,(H,25,28)

InChI Key

UBWSZEABFSSREK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27554047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.546

Distribution Coefficient, logD

4.546

Water Solubility, LogSw

-4.33

Polar Surface Area

64.289

Acid Dissociation Constant (pKa)

15.95

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

M785-1420 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M785-1420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M785-1420?
Check Price and Availability of M785-1420, 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 M785-1420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M785-1420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M785-1420
  • 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 M785-1420 available by request