3453-1385 Screening compound: methyl 3-[(6-bromoquinazolin-4-yl)amino]benzoate

3453-1385 Screening compound: methyl 3-[(6-bromoquinazolin-4-yl)amino]benzoate
3453-1385 Screening compound: methyl 3-[(6-bromoquinazolin-4-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-1385
methyl 3-[(6-bromoquinazolin-4-yl)amino]benzoate

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

3453-1385

Molecular Formula

C16H12BrN3O2 (C16 H12 BrN3 O2)

Compound Name

methyl 3-[(6-bromoquinazolin-4-yl)amino]benzoate

IUPAC name

methyl 3-[(6-bromoquinazolin-4-yl)amino]benzoate

SMILES

COC(c1cccc(Nc2c(cc(cc3)Br)c3ncn2)c1)=O

InChI

InChI=1S/C16H12BrN3O2/c1-22-16(21)10-3-2-4-12(7-10)20-15-13-8-11(17)5-6-14(13)18-9-19-15/h2-9H,1H3,(H,18,19,20)

InChI Key

SLKKVPQBCVXQFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02166820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.608

Distribution Coefficient, logD

4.606

Water Solubility, LogSw

-4.49

Polar Surface Area

50.489

Acid Dissociation Constant (pKa)

17.53

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

3453-1385 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

C-Met Library (15277 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3453-1385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-1385?
Check Price and Availability of 3453-1385, 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 3453-1385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-1385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-1385
  • 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 3453-1385 available by request