C800-1212 Screening compound: methyl 3-amino-4-(benzylamino)benzoate

C800-1212 Screening compound: methyl 3-amino-4-(benzylamino)benzoate
C800-1212 Screening compound: methyl 3-amino-4-(benzylamino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-1212
methyl 3-amino-4-(benzylamino)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

C800-1212

Molecular Formula

C15H16N2O2 (C15 H16 N2 O2)

Compound Name

methyl 3-amino-4-(benzylamino)benzoate

IUPAC name

methyl 3-amino-4-(benzylamino)benzoate

SMILES

COC(c(cc1)cc(N)c1NCc1ccccc1)=O

InChI

InChI=1S/C15H16N2O2/c1-19-15(18)12-7-8-14(13(16)9-12)17-10-11-5-3-2-4-6-11/h2-9,17H,10,16H2,1H3

InChI Key

RZAUGKWLMDWWIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13343839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.784

Distribution Coefficient, logD

2.784

Water Solubility, LogSw

-3.26

Polar Surface Area

51.045

Acid Dissociation Constant (pKa)

16.45

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

C800-1212 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C800-1212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-1212?
Check Price and Availability of C800-1212, 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 C800-1212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-1212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-1212
  • 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 C800-1212 available by request