4501-0042 Screening compound: ethyl 2-(4-butoxyphenyl)-4-chloropyrimidine-5-carboxylate

4501-0042 Screening compound: ethyl 2-(4-butoxyphenyl)-4-chloropyrimidine-5-carboxylate
4501-0042 Screening compound: ethyl 2-(4-butoxyphenyl)-4-chloropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4501-0042
ethyl 2-(4-butoxyphenyl)-4-chloropyrimidine-5-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

4501-0042

Molecular Formula

C17H19ClN2O3 (C17 H19 ClN2 O3)

Compound Name

ethyl 2-(4-butoxyphenyl)-4-chloropyrimidine-5-carboxylate

IUPAC name

ethyl 2-(4-butoxyphenyl)-4-chloropyrimidine-5-carboxylate

SMILES

CCCCOc(cc1)ccc1-c1ncc(C(OCC)=O)c(Cl)n1

InChI

InChI=1S/C17H19ClN2O3/c1-3-5-10-23-13-8-6-12(7-9-13)16-19-11-14(15(18)20-16)17(21)22-4-2/h6-9,11H,3-5,10H2,1-2H3

InChI Key

WKPQTIUMQULDBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00559606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.888

Distribution Coefficient, logD

4.888

Water Solubility, LogSw

-4.84

Polar Surface Area

47.869

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

4501-0042 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4501-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4501-0042?
Check Price and Availability of 4501-0042, 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 4501-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4501-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4501-0042
  • 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 4501-0042 available by request