Y010-0979 Screening compound: N-[2-({1-[(4-ethoxyphenyl)carbamoyl]-2-methylpropyl}carbamoyl)phenyl]-4-methoxybenzamide

Y010-0979 Screening compound: N-[2-({1-[(4-ethoxyphenyl)carbamoyl]-2-methylpropyl}carbamoyl)phenyl]-4-methoxybenzamide
Y010-0979 Screening compound: N-[2-({1-[(4-ethoxyphenyl)carbamoyl]-2-methylpropyl}carbamoyl)phenyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0979
N-[2-({1-[(4-ethoxyphenyl)carbamoyl]-2-methylpropyl}carbamoyl)phenyl]-4-methoxybenzamide

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

Y010-0979

Molecular Formula

C28H31N3O5 (C28 H31 N3 O5)

Compound Name

N-[2-({1-[(4-ethoxyphenyl)carbamoyl]-2-methylpropyl}carbamoyl)phenyl]-4-methoxybenzamide

IUPAC name

N-[2-({1-[(4-ethoxyphenyl)carbamoyl]-2-methylpropyl}carbamoyl)phenyl]-4-methoxybenzamide

SMILES

CCOc(cc1)ccc1NC(C(C(C)C)NC(c(cccc1)c1NC(c(cc1)ccc1OC)=O)=O)=O

InChI

InChI=1S/C28H31N3O5/c1-5-36-22-16-12-20(13-17-22)29-28(34)25(18(2)3)31-27(33)23-8-6-7-9-24(23)30-26(32)19-10-14-21(35-4)15-11-19/h6-18,25H,5H2,1-4H3,(H,29,34)(H,30,32)(H,31,33)/t25-/m0/s1

InChI Key

YTMUERXJPUMUPA-VWLOTQADSA-N

MDL Number (MFCD)

MFCD02042802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.614

Distribution Coefficient, logD

4.610

Water Solubility, LogSw

-4.25

Polar Surface Area

84.427

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y010-0979 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y010-0979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0979?
Check Price and Availability of Y010-0979, 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 Y010-0979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0979
  • 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 Y010-0979 available by request