4528-0200 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]pyridine-3-carboxamide

4528-0200 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]pyridine-3-carboxamide
4528-0200 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4528-0200
N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]pyridine-3-carboxamide

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

4528-0200

Molecular Formula

C20H16ClN5O2 (C20 H16 ClN5 O2)

Compound Name

N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]pyridine-3-carboxamide

IUPAC name

N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-123-benzotriazol-5-yl]pyridine-3-carboxamide

SMILES

Cc1cc2nn(-c(cc3)cc(Cl)c3OC)nc2cc1NC(c1cnccc1)=O

InChI

InChI=1S/C20H16ClN5O2/c1-12-8-17-18(10-16(12)23-20(27)13-4-3-7-22-11-13)25-26(24-17)14-5-6-19(28-2)15(21)9-14/h3-11H,1-2H3,(H,23,27)

InChI Key

BGYRTGLLJBJWHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03007103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.334

Distribution Coefficient, logD

3.280

Water Solubility, LogSw

-3.69

Polar Surface Area

63.814

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4528-0200 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 4528-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4528-0200?
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What is the minimum amount of 4528-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4528-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4528-0200
  • 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 4528-0200 available by request