E955-1621 Screening compound: tert-butyl 4-[1-(3-fluorophenyl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

E955-1621 Screening compound: tert-butyl 4-[1-(3-fluorophenyl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate
E955-1621 Screening compound: tert-butyl 4-[1-(3-fluorophenyl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E955-1621
tert-butyl 4-[1-(3-fluorophenyl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]-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

E955-1621

Molecular Formula

C29H35FN6O3 (C29 H35 FN6 O3)

Compound Name

tert-butyl 4-[1-(3-fluorophenyl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[1-(3-fluorophenyl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c1cccc(F)c1)nc1)c1C(N(CC1)CCN1c1ncccc1)=O)=O

InChI

InChI=1S/C29H35FN6O3/c1-29(2,3)39-28(38)35-13-10-21(11-14-35)26-24(20-32-36(26)23-8-6-7-22(30)19-23)27(37)34-17-15-33(16-18-34)25-9-4-5-12-31-25/h4-9,12,19-21H,10-11,13-18H2,1-3H3

InChI Key

LWOBSDNGTPOQON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.545

Distribution Coefficient, logD

5.536

Water Solubility, LogSw

-5.28

Polar Surface Area

63.563

Acid Dissociation Constant (pKa)

21.63

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

E955-1621 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E955-1621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E955-1621?
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What is the minimum amount of E955-1621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E955-1621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E955-1621
  • 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 E955-1621 available by request