3617-2717 Screening compound: N-[2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2-methyl-3-nitrobenzamide

3617-2717 Screening compound: N-[2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2-methyl-3-nitrobenzamide
3617-2717 Screening compound: N-[2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3617-2717
N-[2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2-methyl-3-nitrobenzamide

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

3617-2717

Molecular Formula

C21H16ClN5O3 (C21 H16 ClN5 O3)

Compound Name

N-[2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2-methyl-3-nitrobenzamide

IUPAC name

N-[2-(4-chlorophenyl)-6-methyl-2H-123-benzotriazol-5-yl]-2-methyl-3-nitrobenzamide

SMILES

Cc1cc2nn(-c(cc3)ccc3Cl)nc2cc1NC(c1c(C)c([N+]([O-])=O)ccc1)=O

InChI

InChI=1S/C21H16ClN5O3/c1-12-10-18-19(25-26(24-18)15-8-6-14(22)7-9-15)11-17(12)23-21(28)16-4-3-5-20(13(16)2)27(29)30/h3-11H,1-2H3,(H,23,28)

InChI Key

XAENWUWCGJBTQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02220247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.013

Distribution Coefficient, logD

4.428

Water Solubility, LogSw

-5.12

Polar Surface Area

79.747

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

3617-2717 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3617-2717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3617-2717?
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What is the minimum amount of 3617-2717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3617-2717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3617-2717
  • 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 3617-2717 available by request