8015-0116 Screening compound: cyanomethyl 3-(benzoylamino)-3-(4-isopropoxyphenyl)propanoate

8015-0116 Screening compound: cyanomethyl 3-(benzoylamino)-3-(4-isopropoxyphenyl)propanoate
8015-0116 Screening compound: cyanomethyl 3-(benzoylamino)-3-(4-isopropoxyphenyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0116
cyanomethyl 3-(benzoylamino)-3-(4-isopropoxyphenyl)propanoate

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

8015-0116

Molecular Formula

C21H22N2O4 (C21 H22 N2 O4)

Compound Name

cyanomethyl 3-(benzoylamino)-3-(4-isopropoxyphenyl)propanoate

IUPAC name

cyanomethyl 3-(phenylformamido)-3-[4-(propan-2-yloxy)phenyl]propanoate

SMILES

CC(C)Oc1ccc(C(CC(OCC#N)=O)NC(c2ccccc2)=O)cc1

InChI

InChI=1S/C21H22N2O4/c1-15(2)27-18-10-8-16(9-11-18)19(14-20(24)26-13-12-22)23-21(25)17-6-4-3-5-7-17/h3-11,15,19H,13-14H2,1-2H3,(H,23,25)/t19-/m0/s1

InChI Key

CMFGTQWOFIMEID-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03821656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.018

Distribution Coefficient, logD

3.018

Water Solubility, LogSw

-3.35

Polar Surface Area

69.029

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with 8015-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0116?
Check Price and Availability of 8015-0116, 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 8015-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0116
  • 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 8015-0116 available by request