5826-0066 Screening compound: 3-{[3-(1H-1,3-benzodiazol-2-yl)phenyl]carbamoyl}phenyl acetate

5826-0066 Screening compound: 3-{[3-(1H-1,3-benzodiazol-2-yl)phenyl]carbamoyl}phenyl acetate
5826-0066 Screening compound: 3-{[3-(1H-1,3-benzodiazol-2-yl)phenyl]carbamoyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5826-0066
3-{[3-(1H-1,3-benzodiazol-2-yl)phenyl]carbamoyl}phenyl acetate

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

5826-0066

Molecular Formula

C22H17N3O3 (C22 H17 N3 O3)

Compound Name

3-{[3-(1H-1,3-benzodiazol-2-yl)phenyl]carbamoyl}phenyl acetate

IUPAC name

3-{[3-(1H-13-benzodiazol-2-yl)phenyl]carbamoyl}phenyl acetate

SMILES

CC(Oc1cccc(C(Nc2cc(-c3nc(cccc4)c4[nH]3)ccc2)=O)c1)=O

InChI

InChI=1S/C22H17N3O3/c1-14(26)28-18-9-5-7-16(13-18)22(27)23-17-8-4-6-15(12-17)21-24-19-10-2-3-11-20(19)25-21/h2-13H,1H3,(H,23,27)(H,24,25)

InChI Key

LZUZLKOMRWQLNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03182275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.167

Distribution Coefficient, logD

4.167

Water Solubility, LogSw

-4.46

Polar Surface Area

63.100

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 5826-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5826-0066?
Check Price and Availability of 5826-0066, 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 5826-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5826-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5826-0066
  • 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 5826-0066 available by request