3181-0256 Screening compound: 5-(aminocarbonyl)-1-benzyl-3-chloro-6-imino-1,6-dihydro-2-pyridinecarboxylic acid

3181-0256 Screening compound: 5-(aminocarbonyl)-1-benzyl-3-chloro-6-imino-1,6-dihydro-2-pyridinecarboxylic acid
3181-0256 Screening compound: 5-(aminocarbonyl)-1-benzyl-3-chloro-6-imino-1,6-dihydro-2-pyridinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3181-0256
5-(aminocarbonyl)-1-benzyl-3-chloro-6-imino-1,6-dihydro-2-pyridinecarboxylic 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

3181-0256

Molecular Formula

C14H12ClN3O3 (C14 H12 ClN3 O3)

Compound Name

5-(aminocarbonyl)-1-benzyl-3-chloro-6-imino-1,6-dihydro-2-pyridinecarboxylic acid

IUPAC name

n/a

SMILES

NC(C1=CC(Cl)=C(C(O)=O)N(Cc2ccccc2)C1=N)=O

InChI

InChI=1S/C14H12ClN3O3/c15-10-6-9(13(17)19)12(16)18(11(10)14(20)21)7-8-4-2-1-3-5-8/h1-6,16H,7H2,(H2,17,19)(H,20,21)

InChI Key

RFGQRUGAUVVGDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00474297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.926

Distribution Coefficient, logD

-3.168

Water Solubility, LogSw

-2.14

Polar Surface Area

82.413

Acid Dissociation Constant (pKa)

3.31

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

References: we are preparing a list of scientific research reports with 3181-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3181-0256?
Check Price and Availability of 3181-0256, 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 3181-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3181-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3181-0256
  • 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 3181-0256 available by request