1765-0009 Screening compound: butyl 4-[(3,5-dinitropyridin-2-yl)amino]benzoate

1765-0009 Screening compound: butyl 4-[(3,5-dinitropyridin-2-yl)amino]benzoate
1765-0009 Screening compound: butyl 4-[(3,5-dinitropyridin-2-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1765-0009
butyl 4-[(3,5-dinitropyridin-2-yl)amino]benzoate

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

1765-0009

Molecular Formula

C16H16N4O6 (C16 H16 N4 O6)

Compound Name

butyl 4-[(3,5-dinitropyridin-2-yl)amino]benzoate

IUPAC name

butyl 4-[(35-dinitropyridin-2-yl)amino]benzoate

SMILES

CCCCOC(c(cc1)ccc1Nc(ncc([N+]([O-])=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C16H16N4O6/c1-2-3-8-26-16(21)11-4-6-12(7-5-11)18-15-14(20(24)25)9-13(10-17-15)19(22)23/h4-7,9-10H,2-3,8H2,1H3,(H,17,18)

InChI Key

BDXPYUWAUUVMIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00579369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.33

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.035

Distribution Coefficient, logD

4.034

Water Solubility, LogSw

-4.07

Polar Surface Area

106.438

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 1765-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1765-0009?
Check Price and Availability of 1765-0009, 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 1765-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1765-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1765-0009
  • 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 1765-0009 available by request