M785-1602 Screening compound: 2-[1-(3-chlorobenzyl)-2,4-dioxo-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl]-N~1~-(cyclopropylmethyl)acetamide

M785-1602 Screening compound: 2-[1-(3-chlorobenzyl)-2,4-dioxo-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl]-N~1~-(cyclopropylmethyl)acetamide
M785-1602 Screening compound: 2-[1-(3-chlorobenzyl)-2,4-dioxo-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl]-N~1~-(cyclopropylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M785-1602
2-[1-(3-chlorobenzyl)-2,4-dioxo-1,4-dihydro[1]benzofuro[3,2-d]pyrimidin-3(2H)-yl]-N~1~-(cyclopropylmethyl)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

M785-1602

Molecular Formula

C23H20ClN3O4 (C23 H20 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C(c(oc1c2cccc1)c2N1Cc2cccc(Cl)c2)=O)C1=O)NCC1CC1

InChI

InChI=1S/C23H20ClN3O4/c24-16-5-3-4-15(10-16)12-26-20-17-6-1-2-7-18(17)31-21(20)22(29)27(23(26)30)13-19(28)25-11-14-8-9-14/h1-7,10,14H,8-9,11-13H2,(H,25,28)

InChI Key

SCGRTPSZJHAJHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27554052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.88

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

4.374

Distribution Coefficient, logD

4.374

Water Solubility, LogSw

-4.54

Polar Surface Area

65.566

Acid Dissociation Constant (pKa)

16.53

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

M785-1602 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M785-1602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M785-1602?
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What is the minimum amount of M785-1602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M785-1602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M785-1602
  • 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 M785-1602 available by request