Y030-5949 Screening compound: methyl 2-[(4-acetamidophenyl)formamido]-4-methylpentanoate

Y030-5949 Screening compound: methyl 2-[(4-acetamidophenyl)formamido]-4-methylpentanoate
Y030-5949 Screening compound: methyl 2-[(4-acetamidophenyl)formamido]-4-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-5949
methyl 2-[(4-acetamidophenyl)formamido]-4-methylpentanoate

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

Y030-5949

Molecular Formula

C16H22N2O4 (C16 H22 N2 O4)

Compound Name

methyl 2-[(4-acetamidophenyl)formamido]-4-methylpentanoate

IUPAC name

methyl 2-[(4-acetamidophenyl)formamido]-4-methylpentanoate

SMILES

CC(C)CC(C(OC)=O)NC(c(cc1)ccc1NC(C)=O)=O

InChI

InChI=1S/C16H22N2O4/c1-10(2)9-14(16(21)22-4)18-15(20)12-5-7-13(8-6-12)17-11(3)19/h5-8,10,14H,9H2,1-4H3,(H,17,19)(H,18,20)/t14-/m0/s1

InChI Key

ZYJTXRSVOCIMFA-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03575557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.580

Distribution Coefficient, logD

1.580

Water Solubility, LogSw

-1.89

Polar Surface Area

68.989

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

Y030-5949 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y030-5949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-5949?
Check Price and Availability of Y030-5949, 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 Y030-5949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-5949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-5949
  • 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 Y030-5949 available by request