E955-1222 Screening compound: tert-butyl 4-{4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

E955-1222 Screening compound: tert-butyl 4-{4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
E955-1222 Screening compound: tert-butyl 4-{4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E955-1222
tert-butyl 4-{4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(4-nitrophenyl)-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

E955-1222

Molecular Formula

C31H38N6O6 (C31 H38 N6 O6)

Compound Name

tert-butyl 4-{4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

IUPAC name

tert-butyl 4-{4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c(cc1)ccc1[N+]([O-])=O)nc1)c1C(N(CC1)CCN1c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C31H38N6O6/c1-31(2,3)43-30(39)35-15-13-22(14-16-35)28-27(21-32-36(28)24-5-7-25(8-6-24)37(40)41)29(38)34-19-17-33(18-20-34)23-9-11-26(42-4)12-10-23/h5-12,21-22H,13-20H2,1-4H3

InChI Key

DWQHZNGJSLJNGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

590.68

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.837

Distribution Coefficient, logD

5.837

Water Solubility, LogSw

-5.38

Polar Surface Area

95.977

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.20

References: we are preparing a list of scientific research reports with E955-1222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E955-1222?
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What is the minimum amount of E955-1222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E955-1222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E955-1222
  • 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 E955-1222 available by request