2053-0187 Screening compound: 2-{5-methyl-2-[2-nitro-4-(4-nitrobenzoyl)phenoxy]phenyl}-2H-1,2,3-benzotriazole

2053-0187 Screening compound: 2-{5-methyl-2-[2-nitro-4-(4-nitrobenzoyl)phenoxy]phenyl}-2H-1,2,3-benzotriazole
2053-0187 Screening compound: 2-{5-methyl-2-[2-nitro-4-(4-nitrobenzoyl)phenoxy]phenyl}-2H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2053-0187
2-{5-methyl-2-[2-nitro-4-(4-nitrobenzoyl)phenoxy]phenyl}-2H-1,2,3-benzotriazole

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

2053-0187

Molecular Formula

C26H17N5O6 (C26 H17 N5 O6)

Compound Name

2-{5-methyl-2-[2-nitro-4-(4-nitrobenzoyl)phenoxy]phenyl}-2H-1,2,3-benzotriazole

IUPAC name

2-{5-methyl-2-[2-nitro-4-(4-nitrobenzoyl)phenoxy]phenyl}-2H-123-benzotriazole

SMILES

Cc(cc1)cc(-n2nc(cccc3)c3n2)c1Oc(ccc(C(c(cc1)ccc1[N+]([O-])=O)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C26H17N5O6/c1-16-6-12-24(22(14-16)29-27-20-4-2-3-5-21(20)28-29)37-25-13-9-18(15-23(25)31(35)36)26(32)17-7-10-19(11-8-17)30(33)34/h2-15H,1H3

InChI Key

YBCMCZCBTQSOFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01197379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.45

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.243

Distribution Coefficient, logD

6.243

Water Solubility, LogSw

-5.55

Polar Surface Area

110.822

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

References: we are preparing a list of scientific research reports with 2053-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2053-0187?
Check Price and Availability of 2053-0187, 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 2053-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2053-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2053-0187
  • 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 2053-0187 available by request