Y041-3869 Screening compound: 4-[(2-{[(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetamido)methyl]cyclohexane-1-carboxylic acid

Y041-3869 Screening compound: 4-[(2-{[(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetamido)methyl]cyclohexane-1-carboxylic acid
Y041-3869 Screening compound: 4-[(2-{[(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetamido)methyl]cyclohexane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3869
4-[(2-{[(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetamido)methyl]cyclohexane-1-carboxylic 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

Y041-3869

Molecular Formula

C21H27N3O6S (C21 H27 N3 O6 S)

Compound Name

4-[(2-{[(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetamido)methyl]cyclohexane-1-carboxylic acid

IUPAC name

(1r4r)-4-[(2-{[(67-dimethoxy-4-oxo-34-dihydroquinazolin-2-yl)methyl]sulfanyl}acetamido)methyl]cyclohexane-1-carboxylic acid

SMILES

COc(c(OC)c1)cc2c1N=C(CSCC(NC[C@H](CC1)CC[C@@H]1C(O)=O)=O)NC2=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.198

Distribution Coefficient, logD

-1.362

Water Solubility, LogSw

-2.14

Polar Surface Area

103.233

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

Y041-3869 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y041-3869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3869?
Check Price and Availability of Y041-3869, 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 Y041-3869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3869
  • 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 Y041-3869 available by request