Y030-3545 Screening compound: 4-[(4-cyanophenyl)carbamoyl]phenyl acetate

Y030-3545 Screening compound: 4-[(4-cyanophenyl)carbamoyl]phenyl acetate
Y030-3545 Screening compound: 4-[(4-cyanophenyl)carbamoyl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-3545
4-[(4-cyanophenyl)carbamoyl]phenyl acetate

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

Y030-3545

Molecular Formula

C16H12N2O3 (C16 H12 N2 O3)

Compound Name

4-[(4-cyanophenyl)carbamoyl]phenyl acetate

IUPAC name

4-[(4-cyanophenyl)carbamoyl]phenyl acetate

SMILES

CC(Oc(cc1)ccc1C(Nc(cc1)ccc1C#N)=O)=O

InChI

InChI=1S/C16H12N2O3/c1-11(19)21-15-8-4-13(5-9-15)16(20)18-14-6-2-12(10-17)3-7-14/h2-9H,1H3,(H,18,20)

InChI Key

NVSUHGQLNBEOSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02104686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.155

Distribution Coefficient, logD

2.149

Water Solubility, LogSw

-2.83

Polar Surface Area

61.137

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

Y030-3545 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y030-3545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-3545?
Check Price and Availability of Y030-3545, 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 Y030-3545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-3545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-3545
  • 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 Y030-3545 available by request