E955-2337 Screening compound: tert-butyl 4-[1-(2,4-dimethylphenyl)-4-[(2-methoxy-5-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

E955-2337 Screening compound: tert-butyl 4-[1-(2,4-dimethylphenyl)-4-[(2-methoxy-5-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate
E955-2337 Screening compound: tert-butyl 4-[1-(2,4-dimethylphenyl)-4-[(2-methoxy-5-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E955-2337
tert-butyl 4-[1-(2,4-dimethylphenyl)-4-[(2-methoxy-5-nitrophenyl)carbamoyl]-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

E955-2337

Molecular Formula

C29H35N5O6 (C29 H35 N5 O6)

Compound Name

tert-butyl 4-[1-(2,4-dimethylphenyl)-4-[(2-methoxy-5-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[1-(24-dimethylphenyl)-4-[(2-methoxy-5-nitrophenyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c1c(C)cc(C)cc1)nc1)c1C(Nc(cc(cc1)[N+]([O-])=O)c1OC)=O)=O

InChI

InChI=1S/C29H35N5O6/c1-18-7-9-24(19(2)15-18)33-26(20-11-13-32(14-12-20)28(36)40-29(3,4)5)22(17-30-33)27(35)31-23-16-21(34(37)38)8-10-25(23)39-6/h7-10,15-17,20H,11-14H2,1-6H3,(H,31,35)

InChI Key

DEVLHECKCUOWSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.839

Distribution Coefficient, logD

6.540

Water Solubility, LogSw

-5.44

Polar Surface Area

98.247

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

References: we are preparing a list of scientific research reports with E955-2337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E955-2337?
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What is the minimum amount of E955-2337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E955-2337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E955-2337
  • 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 E955-2337 available by request