1988-0996 Screening compound: N-(prop-2-en-1-yl)-2-[4-(propan-2-yl)phenoxy]acetamide

1988-0996 Screening compound: N-(prop-2-en-1-yl)-2-[4-(propan-2-yl)phenoxy]acetamide
1988-0996 Screening compound: N-(prop-2-en-1-yl)-2-[4-(propan-2-yl)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-0996
N-(prop-2-en-1-yl)-2-[4-(propan-2-yl)phenoxy]acetamide

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

1988-0996

Molecular Formula

C14H19NO2 (C14 H19 NO2)

Compound Name

N-(prop-2-en-1-yl)-2-[4-(propan-2-yl)phenoxy]acetamide

IUPAC name

N-(prop-2-en-1-yl)-2-[4-(propan-2-yl)phenoxy]acetamide

SMILES

CC(C)c(cc1)ccc1OCC(NCC=C)=O

InChI

InChI=1S/C14H19NO2/c1-4-9-15-14(16)10-17-13-7-5-12(6-8-13)11(2)3/h4-8,11H,1,9-10H2,2-3H3,(H,15,16)

InChI Key

DXRQKTGBMPGWSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01181371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.651

Distribution Coefficient, logD

2.651

Water Solubility, LogSw

-2.95

Polar Surface Area

32.051

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

1988-0996 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1988-0996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-0996?
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What is the minimum amount of 1988-0996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-0996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-0996
  • 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 1988-0996 available by request