M785-1329 Screening compound: 2-[1-(4-chlorobenzyl)-2,4-dioxo-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl]-N~1~-propylacetamide

M785-1329 Screening compound: 2-[1-(4-chlorobenzyl)-2,4-dioxo-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl]-N~1~-propylacetamide
M785-1329 Screening compound: 2-[1-(4-chlorobenzyl)-2,4-dioxo-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl]-N~1~-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M785-1329
2-[1-(4-chlorobenzyl)-2,4-dioxo-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl]-N~1~-propylacetamide

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

M785-1329

Molecular Formula

C22H20ClN3O4 (C22 H20 ClN3 O4)

Compound Name

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

IUPAC name

2-{3-[(4-chlorophenyl)methyl]-46-dioxo-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-5-yl}-N-propylacetamide

SMILES

CCCNC(CN(C(c(oc1c2cccc1)c2N1Cc(cc2)ccc2Cl)=O)C1=O)=O

InChI

InChI=1S/C22H20ClN3O4/c1-2-11-24-18(27)13-26-21(28)20-19(16-5-3-4-6-17(16)30-20)25(22(26)29)12-14-7-9-15(23)10-8-14/h3-10H,2,11-13H2,1H3,(H,24,27)

InChI Key

DYFXRUIQDLXZPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27554041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.145

Distribution Coefficient, logD

4.145

Water Solubility, LogSw

-4.39

Polar Surface Area

65.156

Acid Dissociation Constant (pKa)

16.13

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

M785-1329 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 M785-1329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M785-1329?
Check Price and Availability of M785-1329, 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 M785-1329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M785-1329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M785-1329
  • 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 M785-1329 available by request