7840-3854 Screening compound: 2,3,5,6-tetrafluoro-4-methoxy-N-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)benzamide

7840-3854 Screening compound: 2,3,5,6-tetrafluoro-4-methoxy-N-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)benzamide
7840-3854 Screening compound: 2,3,5,6-tetrafluoro-4-methoxy-N-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7840-3854
2,3,5,6-tetrafluoro-4-methoxy-N-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)benzamide

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

7840-3854

Molecular Formula

C21H14F4N4O2 (C21 H14 F4 N4 O2)

Compound Name

2,3,5,6-tetrafluoro-4-methoxy-N-(6-methyl-2-phenyl-2H-1,2,3-benzotriazol-5-yl)benzamide

IUPAC name

2356-tetrafluoro-4-methoxy-N-(6-methyl-2-phenyl-2H-123-benzotriazol-5-yl)benzamide

SMILES

Cc1cc2nn(-c3ccccc3)nc2cc1NC(c(c(F)c(c(OC)c1F)F)c1F)=O

InChI

InChI=1S/C21H14F4N4O2/c1-10-8-13-14(28-29(27-13)11-6-4-3-5-7-11)9-12(10)26-21(30)15-16(22)18(24)20(31-2)19(25)17(15)23/h3-9H,1-2H3,(H,26,30)

InChI Key

OTBDTUBFXNMIAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05851144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.203

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-5.12

Polar Surface Area

54.383

Acid Dissociation Constant (pKa)

5.25

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 7840-3854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7840-3854?
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What is the minimum amount of 7840-3854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7840-3854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7840-3854
  • 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 7840-3854 available by request