4485-0415 Screening compound: 2-butyl-2-hydroxy-1-{[(methoxycarbonyl)(phenyl)amino]amino}hexan-1-one

4485-0415 Screening compound: 2-butyl-2-hydroxy-1-{[(methoxycarbonyl)(phenyl)amino]amino}hexan-1-one
4485-0415 Screening compound: 2-butyl-2-hydroxy-1-{[(methoxycarbonyl)(phenyl)amino]amino}hexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4485-0415
2-butyl-2-hydroxy-1-{[(methoxycarbonyl)(phenyl)amino]amino}hexan-1-one

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

4485-0415

Molecular Formula

C18H28N2O4 (C18 H28 N2 O4)

Compound Name

2-butyl-2-hydroxy-1-{[(methoxycarbonyl)(phenyl)amino]amino}hexan-1-one

IUPAC name

2-butyl-2-hydroxy-1-{[(methoxycarbonyl)(phenyl)amino]amino}hexan-1-one

SMILES

CCCCC(CCCC)(C(NN(C(OC)=O)c1ccccc1)=O)O

InChI

InChI=1S/C18H28N2O4/c1-4-6-13-18(23,14-7-5-2)16(21)19-20(17(22)24-3)15-11-9-8-10-12-15/h8-12,23H,4-7,13-14H2,1-3H3,(H,19,21)

InChI Key

ZTTHCWMHGCGJEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01088676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.762

Distribution Coefficient, logD

2.770

Water Solubility, LogSw

-3.82

Polar Surface Area

62.511

Acid Dissociation Constant (pKa)

6.45

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

4485-0415 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4485-0415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4485-0415?
Check Price and Availability of 4485-0415, 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 4485-0415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4485-0415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4485-0415
  • 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 4485-0415 available by request