Y501-4682 Screening compound: diisopropyl 5-{[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]amino}isophthalate

Y501-4682 Screening compound: diisopropyl 5-{[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]amino}isophthalate
Y501-4682 Screening compound: diisopropyl 5-{[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]amino}isophthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-4682
diisopropyl 5-{[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]amino}isophthalate

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

Y501-4682

Molecular Formula

C20H24N4O7 (C20 H24 N4 O7)

Compound Name

diisopropyl 5-{[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]amino}isophthalate

IUPAC name

13-bis(propan-2-yl) 5-[3-(4-nitro-1H-pyrazol-1-yl)propanamido]benzene-13-dicarboxylate

SMILES

CC(C)OC(c1cc(NC(CCn2ncc([N+]([O-])=O)c2)=O)cc(C(OC(C)C)=O)c1)=O

InChI

InChI=1S/C20H24N4O7/c1-12(2)30-19(26)14-7-15(20(27)31-13(3)4)9-16(8-14)22-18(25)5-6-23-11-17(10-21-23)24(28)29/h7-13H,5-6H2,1-4H3,(H,22,25)

InChI Key

KENPEBFDQNEOOI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.43

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.101

Distribution Coefficient, logD

3.101

Water Solubility, LogSw

-3.41

Polar Surface Area

112.119

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with Y501-4682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-4682?
Check Price and Availability of Y501-4682, 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 Y501-4682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-4682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-4682
  • 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 Y501-4682 available by request