5847-0450 Screening compound: ethyl 4-(2-hydroxy-5-methylanilino)-2-quinazolinecarboxylate

5847-0450 Screening compound: ethyl 4-(2-hydroxy-5-methylanilino)-2-quinazolinecarboxylate
5847-0450 Screening compound: ethyl 4-(2-hydroxy-5-methylanilino)-2-quinazolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5847-0450
ethyl 4-(2-hydroxy-5-methylanilino)-2-quinazolinecarboxylate

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

5847-0450

Molecular Formula

C18H17N3O3 (C18 H17 N3 O3)

Compound Name

ethyl 4-(2-hydroxy-5-methylanilino)-2-quinazolinecarboxylate

IUPAC name

n/a

SMILES

CCOC(c1nc2ccccc2c(Nc(cc(C)cc2)c2O)n1)=O

InChI

InChI=1S/C18H17N3O3/c1-3-24-18(23)17-19-13-7-5-4-6-12(13)16(21-17)20-14-10-11(2)8-9-15(14)22/h4-10,22H,3H2,1-2H3,(H,19,20,21)

InChI Key

FPFDJKJYKGWBHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05742520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.106

Distribution Coefficient, logD

4.106

Water Solubility, LogSw

-3.80

Polar Surface Area

64.681

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

5847-0450 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5847-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5847-0450?
Check Price and Availability of 5847-0450, 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 5847-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5847-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5847-0450
  • 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 5847-0450 available by request