8020-4629 Screening compound: (Z)-3,5-di-tert-butyl-4-hydroxy-N,N'-bis(prop-2-en-1-yl)benzene-1-carboximidamide

8020-4629 Screening compound: (Z)-3,5-di-tert-butyl-4-hydroxy-N,N'-bis(prop-2-en-1-yl)benzene-1-carboximidamide
8020-4629 Screening compound: (Z)-3,5-di-tert-butyl-4-hydroxy-N,N'-bis(prop-2-en-1-yl)benzene-1-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4629
(Z)-3,5-di-tert-butyl-4-hydroxy-N,N'-bis(prop-2-en-1-yl)benzene-1-carboximidamide

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

8020-4629

Molecular Formula

C21H32N2O (C21 H32 N2 O)

Compound Name

(Z)-3,5-di-tert-butyl-4-hydroxy-N,N'-bis(prop-2-en-1-yl)benzene-1-carboximidamide

IUPAC name

(Z)-35-di-tert-butyl-4-hydroxy-NN'-bis(prop-2-en-1-yl)benzene-1-carboximidamide

SMILES

CC(C)(C)c1cc(/C(/NCC=C)=N/CC=C)cc(C(C)(C)C)c1O

InChI

InChI=1S/C21H32N2O/c1-9-11-22-19(23-12-10-2)15-13-16(20(3,4)5)18(24)17(14-15)21(6,7)8/h9-10,13-14,24H,1-2,11-12H2,3-8H3,(H,22,23)

InChI Key

GMMFMJSDLWKAKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00551033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.293

Distribution Coefficient, logD

0.255

Water Solubility, LogSw

-5.40

Polar Surface Area

34.754

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

12.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

8020-4629 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-4629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4629?
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What is the minimum amount of 8020-4629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4629
  • 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 8020-4629 available by request