8002-9360 Screening compound: 3-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-N-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methyl-5-nitrobenzamide

8002-9360 Screening compound: 3-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-N-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methyl-5-nitrobenzamide
8002-9360 Screening compound: 3-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-N-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methyl-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9360
3-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-N-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methyl-5-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

8002-9360

Molecular Formula

C15H7F14N3O4 (C15 H7 F14 N3 O4)

Compound Name

3-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-N-(1,1,2,2,3,3,3-heptafluoropropyl)-2-methyl-5-nitrobenzamide

IUPAC name

3-(2233444-heptafluorobutanamido)-N-(1122333-heptafluoropropyl)-2-methyl-5-nitrobenzamide

SMILES

Cc(c(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)cc([N+]([O-])=O)c1)c1C(NC(C(C(F)(F)F)(F)F)(F)F)=O

InChI

InChI=1S/C15H7F14N3O4/c1-4-6(8(33)31-15(28,29)12(20,21)14(25,26)27)2-5(32(35)36)3-7(4)30-9(34)10(16,17)11(18,19)13(22,23)24/h2-3H,1H3,(H,30,34)(H,31,33)

InChI Key

IFPSKCVULSQOKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.377

Distribution Coefficient, logD

4.404

Water Solubility, LogSw

-5.42

Polar Surface Area

78.095

Acid Dissociation Constant (pKa)

6.48

Base Dissociation Constant (pKb)

-6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

References: we are preparing a list of scientific research reports with 8002-9360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9360?
Check Price and Availability of 8002-9360, 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 8002-9360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9360
  • 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 8002-9360 available by request