3574-0118 Screening compound: N-(8-chloro-2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)amine

3574-0118 Screening compound: N-(8-chloro-2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)amine
3574-0118 Screening compound: N-(8-chloro-2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3574-0118
N-(8-chloro-2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)amine

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

3574-0118

Molecular Formula

C18H14ClN3O (C18 H14 ClN3 O)

Compound Name

N-(8-chloro-2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)-N-(4-methylphenyl)amine

IUPAC name

12-chloro-4-methyl-N-(4-methylphenyl)-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaen-6-amine

SMILES

Cc(cc1)ccc1Nc1c2oc(ccc(Cl)c3)c3c2nc(C)n1

InChI

InChI=1S/C18H14ClN3O/c1-10-3-6-13(7-4-10)22-18-17-16(20-11(2)21-18)14-9-12(19)5-8-15(14)23-17/h3-9H,1-2H3,(H,20,21,22)

InChI Key

ZOCWYTLLBXOMDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02038544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.78

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.347

Distribution Coefficient, logD

5.330

Water Solubility, LogSw

-6.00

Polar Surface Area

36.879

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

3574-0118 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3574-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3574-0118?
Check Price and Availability of 3574-0118, 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 3574-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3574-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3574-0118
  • 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 3574-0118 available by request