Y032-0030 Screening compound: 1,4-dimethyl 2-[3-(methoxycarbonyl)-5-nitrobenzamido]benzene-1,4-dicarboxylate

Y032-0030 Screening compound: 1,4-dimethyl 2-[3-(methoxycarbonyl)-5-nitrobenzamido]benzene-1,4-dicarboxylate
Y032-0030 Screening compound: 1,4-dimethyl 2-[3-(methoxycarbonyl)-5-nitrobenzamido]benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-0030
1,4-dimethyl 2-[3-(methoxycarbonyl)-5-nitrobenzamido]benzene-1,4-dicarboxylate

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

Y032-0030

Molecular Formula

C19H16N2O9 (C19 H16 N2 O9)

Compound Name

1,4-dimethyl 2-[3-(methoxycarbonyl)-5-nitrobenzamido]benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-[3-(methoxycarbonyl)-5-nitrobenzamido]benzene-14-dicarboxylate

SMILES

COC(c(cc1)cc(NC(c2cc([N+]([O-])=O)cc(C(OC)=O)c2)=O)c1C(OC)=O)=O

InChI

InChI=1S/C19H16N2O9/c1-28-17(23)10-4-5-14(19(25)30-3)15(9-10)20-16(22)11-6-12(18(24)29-2)8-13(7-11)21(26)27/h4-9H,1-3H3,(H,20,22)

InChI Key

GOZBHEJRVBDRMY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.34

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.150

Distribution Coefficient, logD

0.924

Water Solubility, LogSw

-3.57

Polar Surface Area

119.535

Acid Dissociation Constant (pKa)

5.18

Base Dissociation Constant (pKb)

-8.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with Y032-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-0030?
Check Price and Availability of Y032-0030, 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 Y032-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-0030
  • 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 Y032-0030 available by request