8016-8402 Screening compound: 2-[3,5-di(tert-butyl)-4-hydroxyphenyl]-3-(methylamino)naphthoquinone

8016-8402 Screening compound: 2-[3,5-di(tert-butyl)-4-hydroxyphenyl]-3-(methylamino)naphthoquinone
8016-8402 Screening compound: 2-[3,5-di(tert-butyl)-4-hydroxyphenyl]-3-(methylamino)naphthoquinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8402
2-[3,5-di(tert-butyl)-4-hydroxyphenyl]-3-(methylamino)naphthoquinone

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

8016-8402

Molecular Formula

C25H29NO3 (C25 H29 NO3)

Compound Name

2-[3,5-di(tert-butyl)-4-hydroxyphenyl]-3-(methylamino)naphthoquinone

IUPAC name

2-(35-di-tert-butyl-4-hydroxyphenyl)-3-(methylamino)-14-dihydronaphthalene-14-dione

SMILES

CC(C)(C)c1cc(C(C(c(cccc2)c2C2=O)=O)=C2NC)cc(C(C)(C)C)c1O

InChI

InChI=1S/C25H29NO3/c1-24(2,3)17-12-14(13-18(23(17)29)25(4,5)6)19-20(26-7)22(28)16-11-9-8-10-15(16)21(19)27/h8-13,26,29H,1-7H3

InChI Key

NPESRFZWKCTFOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.227

Distribution Coefficient, logD

5.227

Water Solubility, LogSw

-4.88

Polar Surface Area

52.515

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with 8016-8402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8402?
Check Price and Availability of 8016-8402, 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 8016-8402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8402
  • 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 8016-8402 available by request