Y042-9942 Screening compound: (2S,3R)-2-({2-[6,7-dimethoxy-4-oxo-3(4H)-quinazolinyl]acetyl}amino)-3-methyl-N-(4-pyridylmethyl)pentanamide

Y042-9942 Screening compound: (2S,3R)-2-({2-[6,7-dimethoxy-4-oxo-3(4H)-quinazolinyl]acetyl}amino)-3-methyl-N-(4-pyridylmethyl)pentanamide
Y042-9942 Screening compound: (2S,3R)-2-({2-[6,7-dimethoxy-4-oxo-3(4H)-quinazolinyl]acetyl}amino)-3-methyl-N-(4-pyridylmethyl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-9942
(2S,3R)-2-({2-[6,7-dimethoxy-4-oxo-3(4H)-quinazolinyl]acetyl}amino)-3-methyl-N-(4-pyridylmethyl)pentanamide

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

Y042-9942

Molecular Formula

C24H29N5O5 (C24 H29 N5 O5)

Compound Name

(2S,3R)-2-({2-[6,7-dimethoxy-4-oxo-3(4H)-quinazolinyl]acetyl}amino)-3-methyl-N-(4-pyridylmethyl)pentanamide

IUPAC name

(2S3R)-2-[2-(67-dimethoxy-4-oxo-34-dihydroquinazolin-3-yl)acetamido]-3-methyl-N-[(pyridin-4-yl)methyl]pentanamide

SMILES

CC[C@@H](C)[C@@H](C(NCc1ccncc1)=O)NC(CN(C=Nc(cc1OC)c2cc1OC)C2=O)=O

InChI

InChI=1S/C24H29N5O5/c1-5-15(2)22(23(31)26-12-16-6-8-25-9-7-16)28-21(30)13-29-14-27-18-11-20(34-4)19(33-3)10-17(18)24(29)32/h6-11,14-15,22H,5,12-13H2,1-4H3,(H,26,31)(H,28,30)/t15-,22+/m1/s1

InChI Key

OZFVPUGSAKFXTH-QRQCRPRQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.809

Distribution Coefficient, logD

0.806

Water Solubility, LogSw

-2.03

Polar Surface Area

99.536

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

Y042-9942 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y042-9942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-9942?
Check Price and Availability of Y042-9942, 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 Y042-9942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-9942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-9942
  • 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 Y042-9942 available by request