6828-0061 Screening compound: 4-{[6-(morpholin-4-yl)-3-nitropyridin-2-yl]amino}benzoic acid

6828-0061 Screening compound: 4-{[6-(morpholin-4-yl)-3-nitropyridin-2-yl]amino}benzoic acid
6828-0061 Screening compound: 4-{[6-(morpholin-4-yl)-3-nitropyridin-2-yl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6828-0061
4-{[6-(morpholin-4-yl)-3-nitropyridin-2-yl]amino}benzoic acid

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

6828-0061

Molecular Formula

C16H16N4O5 (C16 H16 N4 O5)

Compound Name

4-{[6-(morpholin-4-yl)-3-nitropyridin-2-yl]amino}benzoic acid

IUPAC name

4-{[6-(morpholin-4-yl)-3-nitropyridin-2-yl]amino}benzoic acid

SMILES

[O-][N+](c(cc1)c(Nc(cc2)ccc2C(O)=O)nc1N1CCOCC1)=O

InChI

InChI=1S/C16H16N4O5/c21-16(22)11-1-3-12(4-2-11)17-15-13(20(23)24)5-6-14(18-15)19-7-9-25-10-8-19/h1-6H,7-10H2,(H,17,18)(H,21,22)

InChI Key

URRFNVTVGAFAPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.109

Distribution Coefficient, logD

0.714

Water Solubility, LogSw

-3.46

Polar Surface Area

90.720

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6828-0061 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6828-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6828-0061?
Check Price and Availability of 6828-0061, 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 6828-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6828-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6828-0061
  • 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 6828-0061 available by request