5847-0398 Screening compound: ethyl 4-[(2-propoxyphenyl)amino]quinazoline-2-carboxylate

5847-0398 Screening compound: ethyl 4-[(2-propoxyphenyl)amino]quinazoline-2-carboxylate
5847-0398 Screening compound: ethyl 4-[(2-propoxyphenyl)amino]quinazoline-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5847-0398
ethyl 4-[(2-propoxyphenyl)amino]quinazoline-2-carboxylate

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

5847-0398

Molecular Formula

C20H21N3O3 (C20 H21 N3 O3)

Compound Name

ethyl 4-[(2-propoxyphenyl)amino]quinazoline-2-carboxylate

IUPAC name

ethyl 4-[(2-propoxyphenyl)amino]quinazoline-2-carboxylate

SMILES

CCCOc(cccc1)c1Nc1nc(C(OCC)=O)nc2ccccc12

InChI

InChI=1S/C20H21N3O3/c1-3-13-26-17-12-8-7-11-16(17)22-18-14-9-5-6-10-15(14)21-19(23-18)20(24)25-4-2/h5-12H,3-4,13H2,1-2H3,(H,21,22,23)

InChI Key

LTJHXNDLOLJYCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05742508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.317

Distribution Coefficient, logD

5.317

Water Solubility, LogSw

-5.61

Polar Surface Area

55.637

Acid Dissociation Constant (pKa)

16.19

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5847-0398 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5847-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5847-0398?
Check Price and Availability of 5847-0398, 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 5847-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5847-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5847-0398
  • 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 5847-0398 available by request