8003-5647 Screening compound: tert-butyl N-[3-amino-1-(aminocarbonyl)-3-oxopropyl]carbamate

8003-5647 Screening compound: tert-butyl N-[3-amino-1-(aminocarbonyl)-3-oxopropyl]carbamate
8003-5647 Screening compound: tert-butyl N-[3-amino-1-(aminocarbonyl)-3-oxopropyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-5647
tert-butyl N-[3-amino-1-(aminocarbonyl)-3-oxopropyl]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

8003-5647

Molecular Formula

C9H17N3O4 (C9 H17 N3 O4)

Compound Name

tert-butyl N-[3-amino-1-(aminocarbonyl)-3-oxopropyl]carbamate

IUPAC name

tert-butyl N-(12-dicarbamoylethyl)carbamate

SMILES

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

InChI

InChI=1S/C9H17N3O4/c1-9(2,3)16-8(15)12-5(7(11)14)4-6(10)13/h5H,4H2,1-3H3,(H2,10,13)(H2,11,14)(H,12,15)/t5-/m0/s1

InChI Key

DVBNTRUNEKAQSQ-YFKPBYRVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.205

Distribution Coefficient, logD

0.205

Water Solubility, LogSw

-0.54

Polar Surface Area

99.463

Acid Dissociation Constant (pKa)

14.68

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

8003-5647 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 8003-5647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-5647?
Check Price and Availability of 8003-5647, 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 8003-5647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-5647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-5647
  • 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 8003-5647 available by request