Y501-5670 Screening compound: 2-[2-(3-{[(1-methylethylidene)amino]oxy}-5-nitroanilino)-2-oxoethoxy]acetic acid

Y501-5670 Screening compound: 2-[2-(3-{[(1-methylethylidene)amino]oxy}-5-nitroanilino)-2-oxoethoxy]acetic acid
Y501-5670 Screening compound: 2-[2-(3-{[(1-methylethylidene)amino]oxy}-5-nitroanilino)-2-oxoethoxy]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-5670
2-[2-(3-{[(1-methylethylidene)amino]oxy}-5-nitroanilino)-2-oxoethoxy]acetic acid

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

Y501-5670

Molecular Formula

C13H15N3O7 (C13 H15 N3 O7)

Compound Name

2-[2-(3-{[(1-methylethylidene)amino]oxy}-5-nitroanilino)-2-oxoethoxy]acetic acid

IUPAC name

2-{[(3-nitro-5-{[(propan-2-ylidene)amino]oxy}phenyl)carbamoyl]methoxy}acetic acid

SMILES

CC(C)=NOc1cc(NC(COCC(O)=O)=O)cc([N+]([O-])=O)c1

InChI

InChI=1S/C13H15N3O7/c1-8(2)15-23-11-4-9(3-10(5-11)16(20)21)14-12(17)6-22-7-13(18)19/h3-5H,6-7H2,1-2H3,(H,14,17)(H,18,19)

InChI Key

AINOJTOSGUDAIY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.28

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.087

Distribution Coefficient, logD

-2.442

Water Solubility, LogSw

-2.20

Polar Surface Area

111.308

Acid Dissociation Constant (pKa)

3.87

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

References: we are preparing a list of scientific research reports with Y501-5670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-5670?
Check Price and Availability of Y501-5670, 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 Y501-5670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-5670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-5670
  • 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 Y501-5670 available by request