Y040-8644 Screening compound: 2-[2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-3-methylbutanamido]-4-methylpentanoic acid

Y040-8644 Screening compound: 2-[2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-3-methylbutanamido]-4-methylpentanoic acid
Y040-8644 Screening compound: 2-[2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-3-methylbutanamido]-4-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8644
2-[2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-3-methylbutanamido]-4-methylpentanoic acid

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

Y040-8644

Molecular Formula

C19H25N3O5 (C19 H25 N3 O5)

Compound Name

2-[2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-3-methylbutanamido]-4-methylpentanoic acid

IUPAC name

(2S)-2-[(2S)-2-(24-dioxo-1234-tetrahydroquinazolin-3-yl)-3-methylbutanamido]-4-methylpentanoic acid

SMILES

CC(C)C[C@@H](C(O)=O)NC([C@H](C(C)C)N(C(c(cccc1)c1N1)=O)C1=O)=O

InChI

InChI=1S/C19H25N3O5/c1-10(2)9-14(18(25)26)20-16(23)15(11(3)4)22-17(24)12-7-5-6-8-13(12)21-19(22)27/h5-8,10-11,14-15H,9H2,1-4H3,(H,20,23)(H,21,27)(H,25,26)/t14-,15-/m0/s1

InChI Key

OLTOZLDZIHCZAV-GJZGRUSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.594

Distribution Coefficient, logD

-2.066

Water Solubility, LogSw

-2.33

Polar Surface Area

92.436

Acid Dissociation Constant (pKa)

3.74

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.40

Y040-8644 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y040-8644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8644?
Check Price and Availability of Y040-8644, 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 Y040-8644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8644
  • 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 Y040-8644 available by request