Y044-0452 Screening compound: (2S)-2-({2-[6,7-dimethoxy-4-oxo-3(4H)-quinazolinyl]acetyl}amino)-N~1~-(2-furylmethyl)-3-methylbutanamide

Y044-0452 Screening compound: (2S)-2-({2-[6,7-dimethoxy-4-oxo-3(4H)-quinazolinyl]acetyl}amino)-N~1~-(2-furylmethyl)-3-methylbutanamide
Y044-0452 Screening compound: (2S)-2-({2-[6,7-dimethoxy-4-oxo-3(4H)-quinazolinyl]acetyl}amino)-N~1~-(2-furylmethyl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-0452
(2S)-2-({2-[6,7-dimethoxy-4-oxo-3(4H)-quinazolinyl]acetyl}amino)-N~1~-(2-furylmethyl)-3-methylbutanamide

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

Y044-0452

Molecular Formula

C22H26N4O6 (C22 H26 N4 O6)

Compound Name

(2S)-2-({2-[6,7-dimethoxy-4-oxo-3(4H)-quinazolinyl]acetyl}amino)-N~1~-(2-furylmethyl)-3-methylbutanamide

IUPAC name

(2S)-2-[2-(67-dimethoxy-4-oxo-34-dihydroquinazolin-3-yl)acetamido]-N-[(furan-2-yl)methyl]-3-methylbutanamide

SMILES

CC(C)C(C(NCc1ccco1)=O)NC(CN(C=Nc(cc1OC)c2cc1OC)C2=O)=O

InChI

InChI=1S/C22H26N4O6/c1-13(2)20(21(28)23-10-14-6-5-7-32-14)25-19(27)11-26-12-24-16-9-18(31-4)17(30-3)8-15(16)22(26)29/h5-9,12-13,20H,10-11H2,1-4H3,(H,23,28)(H,25,27)/t20-/m0/s1

InChI Key

DGPWRPFHOPQCTG-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.136

Distribution Coefficient, logD

1.136

Water Solubility, LogSw

-2.33

Polar Surface Area

97.857

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

Y044-0452 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y044-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-0452?
Check Price and Availability of Y044-0452, 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 Y044-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-0452
  • 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 Y044-0452 available by request