E955-1622 Screening compound: tert-butyl 4-{4-[(2-fluoro-5-nitrophenyl)carbamoyl]-1-(3-fluorophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

E955-1622 Screening compound: tert-butyl 4-{4-[(2-fluoro-5-nitrophenyl)carbamoyl]-1-(3-fluorophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
E955-1622 Screening compound: tert-butyl 4-{4-[(2-fluoro-5-nitrophenyl)carbamoyl]-1-(3-fluorophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E955-1622
tert-butyl 4-{4-[(2-fluoro-5-nitrophenyl)carbamoyl]-1-(3-fluorophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

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

E955-1622

Molecular Formula

C26H27F2N5O5 (C26 H27 F2 N5 O5)

Compound Name

tert-butyl 4-{4-[(2-fluoro-5-nitrophenyl)carbamoyl]-1-(3-fluorophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

IUPAC name

tert-butyl 4-{4-[(2-fluoro-5-nitrophenyl)carbamoyl]-1-(3-fluorophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c1cc(F)ccc1)nc1)c1C(Nc(cc(cc1)[N+]([O-])=O)c1F)=O)=O

InChI

InChI=1S/C26H27F2N5O5/c1-26(2,3)38-25(35)31-11-9-16(10-12-31)23-20(15-29-32(23)18-6-4-5-17(27)13-18)24(34)30-22-14-19(33(36)37)7-8-21(22)28/h4-8,13-16H,9-12H2,1-3H3,(H,30,34)

InChI Key

GWINQLMDAQVXNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.259

Distribution Coefficient, logD

5.688

Water Solubility, LogSw

-5.39

Polar Surface Area

90.918

Acid Dissociation Constant (pKa)

6.97

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

E955-1622 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E955-1622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E955-1622?
Check Price and Availability of E955-1622, 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 E955-1622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E955-1622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E955-1622
  • 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 E955-1622 available by request