Y030-0525 Screening compound: N,N-bis(cyanomethyl)-4-(2,4-dichlorophenoxy)butanamide

Y030-0525 Screening compound: N,N-bis(cyanomethyl)-4-(2,4-dichlorophenoxy)butanamide
Y030-0525 Screening compound: N,N-bis(cyanomethyl)-4-(2,4-dichlorophenoxy)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-0525
N,N-bis(cyanomethyl)-4-(2,4-dichlorophenoxy)butanamide

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

Y030-0525

Molecular Formula

C14H13Cl2N3O2 (C14 H13 Cl2 N3 O2)

Compound Name

N,N-bis(cyanomethyl)-4-(2,4-dichlorophenoxy)butanamide

IUPAC name

NN-bis(cyanomethyl)-4-(24-dichlorophenoxy)butanamide

SMILES

N#CCN(CC#N)C(CCCOc(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C14H13Cl2N3O2/c15-11-3-4-13(12(16)10-11)21-9-1-2-14(20)19(7-5-17)8-6-18/h3-4,10H,1-2,7-9H2

InChI Key

PUFLFGHKEFBDEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01212431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.18

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.983

Distribution Coefficient, logD

1.983

Water Solubility, LogSw

-2.86

Polar Surface Area

58.638

Acid Dissociation Constant (pKa)

22.50

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with Y030-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-0525?
Check Price and Availability of Y030-0525, 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 Y030-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-0525
  • 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 Y030-0525 available by request