8003-5517 Screening compound: 3-((E)-2-{2-[(2-hydroxyethyl)amino]-2-oxoacetyl}hydrazono)-N-isopropylbutanamide

8003-5517 Screening compound: 3-((E)-2-{2-[(2-hydroxyethyl)amino]-2-oxoacetyl}hydrazono)-N-isopropylbutanamide
8003-5517 Screening compound: 3-((E)-2-{2-[(2-hydroxyethyl)amino]-2-oxoacetyl}hydrazono)-N-isopropylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-5517
3-((E)-2-{2-[(2-hydroxyethyl)amino]-2-oxoacetyl}hydrazono)-N-isopropylbutanamide

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

8003-5517

Molecular Formula

C11H20N4O4 (C11 H20 N4 O4)

Compound Name

3-((E)-2-{2-[(2-hydroxyethyl)amino]-2-oxoacetyl}hydrazono)-N-isopropylbutanamide

IUPAC name

(3E)-3-({[(2-hydroxyethyl)carbamoyl]formamido}imino)-N-(propan-2-yl)butanamide

SMILES

CC(C)NC(C/C(/C)=N/NC(C(NCCO)=O)=O)=O

InChI

InChI=1S/C11H20N4O4/c1-7(2)13-9(17)6-8(3)14-15-11(19)10(18)12-4-5-16/h7,16H,4-6H2,1-3H3,(H,12,18)(H,13,17)(H,15,19)

InChI Key

VQRJVHYCNZLWAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00735398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-1.522

Distribution Coefficient, logD

-3.054

Water Solubility, LogSw

-0.71

Polar Surface Area

100.094

Acid Dissociation Constant (pKa)

5.88

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.64

8003-5517 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8003-5517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-5517?
Check Price and Availability of 8003-5517, 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 8003-5517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-5517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-5517
  • 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 8003-5517 available by request