Y032-0078 Screening compound: methyl 3-[(methylamino)carbonyl]-5-nitrobenzoate

Y032-0078 Screening compound: methyl 3-[(methylamino)carbonyl]-5-nitrobenzoate
Y032-0078 Screening compound: methyl 3-[(methylamino)carbonyl]-5-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-0078
methyl 3-[(methylamino)carbonyl]-5-nitrobenzoate

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

Y032-0078

Molecular Formula

C10H10N2O5 (C10 H10 N2 O5)

Compound Name

methyl 3-[(methylamino)carbonyl]-5-nitrobenzoate

IUPAC name

methyl 3-(methylcarbamoyl)-5-nitrobenzoate

SMILES

CNC(c1cc([N+]([O-])=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C10H10N2O5/c1-11-9(13)6-3-7(10(14)17-2)5-8(4-6)12(15)16/h3-5H,1-2H3,(H,11,13)

InChI Key

JSIAPOBUIUFYCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01196986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.2

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.226

Distribution Coefficient, logD

1.226

Water Solubility, LogSw

-1.95

Polar Surface Area

79.629

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

-4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y032-0078 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y032-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-0078?
Check Price and Availability of Y032-0078, 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 Y032-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-0078
  • 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 Y032-0078 available by request