8495-0468 Screening compound: 3,5-dichloro-2-methoxy-N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide

8495-0468 Screening compound: 3,5-dichloro-2-methoxy-N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide
8495-0468 Screening compound: 3,5-dichloro-2-methoxy-N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8495-0468
3,5-dichloro-2-methoxy-N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide

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

8495-0468

Molecular Formula

C21H16Cl2N4O3 (C21 H16 Cl2 N4 O3)

Compound Name

3,5-dichloro-2-methoxy-N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide

IUPAC name

35-dichloro-2-methoxy-N-[2-(4-methoxyphenyl)-2H-123-benzotriazol-5-yl]benzamide

SMILES

COc(cc1)ccc1-n1nc(cc(cc2)NC(c3cc(Cl)cc(Cl)c3OC)=O)c2n1

InChI

InChI=1S/C21H16Cl2N4O3/c1-29-15-6-4-14(5-7-15)27-25-18-8-3-13(11-19(18)26-27)24-21(28)16-9-12(22)10-17(23)20(16)30-2/h3-11H,1-2H3,(H,24,28)

InChI Key

BKLXITOMLQVTBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06627629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.632

Distribution Coefficient, logD

4.003

Water Solubility, LogSw

-6.07

Polar Surface Area

62.625

Acid Dissociation Constant (pKa)

5.78

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 8495-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8495-0468?
Check Price and Availability of 8495-0468, 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 8495-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8495-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8495-0468
  • 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 8495-0468 available by request