Y032-0830 Screening compound: dimethyl 2-[(2-methyl-3,5-dinitrobenzoyl)amino]terephthalate

Y032-0830 Screening compound: dimethyl 2-[(2-methyl-3,5-dinitrobenzoyl)amino]terephthalate
Y032-0830 Screening compound: dimethyl 2-[(2-methyl-3,5-dinitrobenzoyl)amino]terephthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-0830
dimethyl 2-[(2-methyl-3,5-dinitrobenzoyl)amino]terephthalate

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

Y032-0830

Molecular Formula

C18H15N3O9 (C18 H15 N3 O9)

Compound Name

dimethyl 2-[(2-methyl-3,5-dinitrobenzoyl)amino]terephthalate

IUPAC name

14-dimethyl 2-(2-methyl-35-dinitrobenzamido)benzene-14-dicarboxylate

SMILES

Cc(c(C(Nc(cc(cc1)C(OC)=O)c1C(OC)=O)=O)cc([N+]([O-])=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C18H15N3O9/c1-9-13(7-11(20(25)26)8-15(9)21(27)28)16(22)19-14-6-10(17(23)29-2)4-5-12(14)18(24)30-3/h4-8H,1-3H3,(H,19,22)

InChI Key

IPXFCBRKBUQBLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02038627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.33

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.026

Distribution Coefficient, logD

-0.458

Water Solubility, LogSw

-3.60

Polar Surface Area

131.442

Acid Dissociation Constant (pKa)

3.92

Base Dissociation Constant (pKb)

-8.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with Y032-0830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-0830?
Check Price and Availability of Y032-0830, 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 Y032-0830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-0830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-0830
  • 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 Y032-0830 available by request