4464-0996 Screening compound: tert-butyl N-[1-(ethylcarbamoyl)-3-methylbutyl]carbamate

4464-0996 Screening compound: tert-butyl N-[1-(ethylcarbamoyl)-3-methylbutyl]carbamate
4464-0996 Screening compound: tert-butyl N-[1-(ethylcarbamoyl)-3-methylbutyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4464-0996
tert-butyl N-[1-(ethylcarbamoyl)-3-methylbutyl]carbamate

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

4464-0996

Molecular Formula

C13H26N2O3 (C13 H26 N2 O3)

Compound Name

tert-butyl N-[1-(ethylcarbamoyl)-3-methylbutyl]carbamate

IUPAC name

tert-butyl N-[1-(ethylcarbamoyl)-3-methylbutyl]carbamate

SMILES

CCNC(C(CC(C)C)NC(OC(C)(C)C)=O)=O

InChI

InChI=1S/C13H26N2O3/c1-7-14-11(16)10(8-9(2)3)15-12(17)18-13(4,5)6/h9-10H,7-8H2,1-6H3,(H,14,16)(H,15,17)/t10-/m0/s1

InChI Key

DJPLHEAOIPCDQL-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00438605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.964

Distribution Coefficient, logD

2.964

Water Solubility, LogSw

-3.21

Polar Surface Area

56.326

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

84.60

4464-0996 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4464-0996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4464-0996?
Check Price and Availability of 4464-0996, 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 4464-0996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4464-0996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4464-0996
  • 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 4464-0996 available by request