8006-0165 Screening compound: 3-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 3,5-dinitrobenzoate

8006-0165 Screening compound: 3-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 3,5-dinitrobenzoate
8006-0165 Screening compound: 3-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 3,5-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-0165
3-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 3,5-dinitrobenzoate

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

8006-0165

Molecular Formula

C20H13N5O6 (C20 H13 N5 O6)

Compound Name

3-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenyl 3,5-dinitrobenzoate

IUPAC name

3-(2H-123-benzotriazol-2-yl)-4-methylphenyl 35-dinitrobenzoate

SMILES

Cc(ccc(OC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O)c1)c1-n1nc(cccc2)c2n1

InChI

InChI=1S/C20H13N5O6/c1-12-6-7-16(11-19(12)23-21-17-4-2-3-5-18(17)22-23)31-20(26)13-8-14(24(27)28)10-15(9-13)25(29)30/h2-11H,1H3

InChI Key

QCGPPICSUVQXOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.35

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.868

Distribution Coefficient, logD

4.868

Water Solubility, LogSw

-4.78

Polar Surface Area

111.113

Acid Dissociation Constant (pKa)

28.07

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 8006-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-0165?
Check Price and Availability of 8006-0165, 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 8006-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-0165
  • 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 8006-0165 available by request