8020-2641 Screening compound: 1-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]ethane-1,1,2,2-tetracarbonitrile

8020-2641 Screening compound: 1-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]ethane-1,1,2,2-tetracarbonitrile
8020-2641 Screening compound: 1-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]ethane-1,1,2,2-tetracarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2641
1-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]ethane-1,1,2,2-tetracarbonitrile

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

8020-2641

Molecular Formula

C16H12N4O2 (C16 H12 N4 O2)

Compound Name

1-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]ethane-1,1,2,2-tetracarbonitrile

IUPAC name

1-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]ethane-1122-tetracarbonitrile

SMILES

CC(C(C(C#N)C#N)(C#N)C#N)C(c(cc1)ccc1OC)=O

InChI

InChI=1S/C16H12N4O2/c1-11(16(9-19,10-20)13(7-17)8-18)15(21)12-3-5-14(22-2)6-4-12/h3-6,11,13H,1-2H3/t11-/m1/s1

InChI Key

JIFMVTNJZRJXNB-LLVKDONJSA-N

MDL Number (MFCD)

MFCD18075415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.704

Distribution Coefficient, logD

-2.592

Water Solubility, LogSw

-1.92

Polar Surface Area

89.746

Acid Dissociation Constant (pKa)

3.10

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 8020-2641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2641?
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What is the minimum amount of 8020-2641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2641
  • 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 8020-2641 available by request