3257-1624 Screening compound: 4-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile

3257-1624 Screening compound: 4-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile
3257-1624 Screening compound: 4-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3257-1624
4-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile

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

3257-1624

Molecular Formula

C20H13N5O3 (C20 H13 N5 O3)

Compound Name

4-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile

IUPAC name

4-[2-(2H-123-benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile

SMILES

Cc(cc1)cc(-n2nc(cccc3)c3n2)c1Oc(ccc(C#N)c1)c1[N+]([O-])=O

InChI

InChI=1S/C20H13N5O3/c1-13-6-8-19(28-20-9-7-14(12-21)11-18(20)25(26)27)17(10-13)24-22-15-4-2-3-5-16(15)23-24/h2-11H,1H3

InChI Key

TULVDZTYRLPZLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01435611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.602

Distribution Coefficient, logD

4.602

Water Solubility, LogSw

-4.57

Polar Surface Area

81.030

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 3257-1624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3257-1624?
Check Price and Availability of 3257-1624, 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 3257-1624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3257-1624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3257-1624
  • 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 3257-1624 available by request