Z084-0072 Screening compound: 3-(2-chloroethyl)-N-(4-cyanophenyl)-6-methyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide

Z084-0072 Screening compound: 3-(2-chloroethyl)-N-(4-cyanophenyl)-6-methyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide
Z084-0072 Screening compound: 3-(2-chloroethyl)-N-(4-cyanophenyl)-6-methyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Z084-0072
3-(2-chloroethyl)-N-(4-cyanophenyl)-6-methyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide

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

Z084-0072

Molecular Formula

C17H13ClN4O3 (C17 H13 ClN4 O3)

Compound Name

3-(2-chloroethyl)-N-(4-cyanophenyl)-6-methyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide

IUPAC name

3-(2-chloroethyl)-N-(4-cyanophenyl)-6-methyl-4-oxo-3H4H-furo[23-d]pyrimidine-5-carboxamide

SMILES

Cc1c(C(Nc(cc2)ccc2C#N)=O)c(C(N(CCCl)C=N2)=O)c2o1

InChI

InChI=1S/C17H13ClN4O3/c1-10-13(15(23)21-12-4-2-11(8-19)3-5-12)14-16(25-10)20-9-22(7-6-18)17(14)24/h2-5,9H,6-7H2,1H3,(H,21,23)

InChI Key

IVNZDPHPHCMFAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27634505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.690

Distribution Coefficient, logD

1.671

Water Solubility, LogSw

-2.40

Polar Surface Area

74.119

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

Z084-0072 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Z084-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z084-0072?
Check Price and Availability of Z084-0072, 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 Z084-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z084-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z084-0072
  • 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 Z084-0072 available by request