3494-0092 Screening compound: methyl N-(4-{[4-(1,1,2,2,3,3,3-heptafluoropropanesulfonyl)-2-nitrophenyl]amino}phenyl)carbamate

3494-0092 Screening compound: methyl N-(4-{[4-(1,1,2,2,3,3,3-heptafluoropropanesulfonyl)-2-nitrophenyl]amino}phenyl)carbamate
3494-0092 Screening compound: methyl N-(4-{[4-(1,1,2,2,3,3,3-heptafluoropropanesulfonyl)-2-nitrophenyl]amino}phenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3494-0092
methyl N-(4-{[4-(1,1,2,2,3,3,3-heptafluoropropanesulfonyl)-2-nitrophenyl]amino}phenyl)carbamate

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

3494-0092

Molecular Formula

C17H12F7N3O6S (C17 H12 F7 N3 O6 S)

Compound Name

methyl N-(4-{[4-(1,1,2,2,3,3,3-heptafluoropropanesulfonyl)-2-nitrophenyl]amino}phenyl)carbamate

IUPAC name

methyl N-(4-{[4-(1122333-heptafluoropropanesulfonyl)-2-nitrophenyl]amino}phenyl)carbamate

SMILES

COC(Nc(cc1)ccc1Nc(ccc(S(C(C(C(F)(F)F)(F)F)(F)F)(=O)=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C17H12F7N3O6S/c1-33-14(28)26-10-4-2-9(3-5-10)25-12-7-6-11(8-13(12)27(29)30)34(31,32)17(23,24)15(18,19)16(20,21)22/h2-8,25H,1H3,(H,26,28)

InChI Key

GUXUNOPPJHUXRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00514310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.35

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.490

Distribution Coefficient, logD

5.490

Water Solubility, LogSw

-5.49

Polar Surface Area

103.170

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 3494-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3494-0092?
Check Price and Availability of 3494-0092, 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 3494-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3494-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3494-0092
  • 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 3494-0092 available by request