Y042-3979 Screening compound: methyl 2-{[(1,3-dioxo-2-phenethyl-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}-3-methylbutanoate

Y042-3979 Screening compound: methyl 2-{[(1,3-dioxo-2-phenethyl-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}-3-methylbutanoate
Y042-3979 Screening compound: methyl 2-{[(1,3-dioxo-2-phenethyl-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3979
methyl 2-{[(1,3-dioxo-2-phenethyl-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}-3-methylbutanoate

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

Y042-3979

Molecular Formula

C23H24N2O5 (C23 H24 N2 O5)

Compound Name

methyl 2-{[(1,3-dioxo-2-phenethyl-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}-3-methylbutanoate

IUPAC name

methyl 2-{[13-dioxo-2-(2-phenylethyl)-23-dihydro-1H-isoindol-5-yl]formamido}-3-methylbutanoate

SMILES

CC(C)C(C(OC)=O)NC(c(cc1)cc(C(N2CCc3ccccc3)=O)c1C2=O)=O

InChI

InChI=1S/C23H24N2O5/c1-14(2)19(23(29)30-3)24-20(26)16-9-10-17-18(13-16)22(28)25(21(17)27)12-11-15-7-5-4-6-8-15/h4-10,13-14,19H,11-12H2,1-3H3,(H,24,26)/t19-/m0/s1

InChI Key

AORSPAFIPZUWAV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27959899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.492

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-3.70

Polar Surface Area

74.681

Acid Dissociation Constant (pKa)

12.21

Base Dissociation Constant (pKb)

-4.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

Y042-3979 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y042-3979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3979?
Check Price and Availability of Y042-3979, 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 Y042-3979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3979
  • 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 Y042-3979 available by request