4769-0779 Screening compound: METHYL 2-[2-(5,6-DIMETHYL-1H-1,3-BENZODIAZOL-1-YL)ACETAMIDO]BENZOATE

4769-0779 Screening compound: METHYL 2-[2-(5,6-DIMETHYL-1H-1,3-BENZODIAZOL-1-YL)ACETAMIDO]BENZOATE
4769-0779 Screening compound: METHYL 2-[2-(5,6-DIMETHYL-1H-1,3-BENZODIAZOL-1-YL)ACETAMIDO]BENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4769-0779
METHYL 2-[2-(5,6-DIMETHYL-1H-1,3-BENZODIAZOL-1-YL)ACETAMIDO]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

4769-0779

Molecular Formula

C19H19N3O3 (C19 H19 N3 O3)

Compound Name

METHYL 2-[2-(5,6-DIMETHYL-1H-1,3-BENZODIAZOL-1-YL)ACETAMIDO]BENZOATE

IUPAC name

n/a

SMILES

Cc(c(C)c1)cc2c1ncn2CC(Nc(cccc1)c1C(OC)=O)=O

InChI

InChI=1S/C19H19N3O3/c1-12-8-16-17(9-13(12)2)22(11-20-16)10-18(23)21-15-7-5-4-6-14(15)19(24)25-3/h4-9,11H,10H2,1-3H3,(H,21,23)

InChI Key

LSNVXZMZSSMVNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02599305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.242

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.45

Polar Surface Area

54.049

Acid Dissociation Constant (pKa)

8.50

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

4769-0779 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4769-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4769-0779?
Check Price and Availability of 4769-0779, 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 4769-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4769-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4769-0779
  • 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 4769-0779 available by request