E955-1271 Screening compound: tert-butyl 4-[1-(4-nitrophenyl)-4-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

E955-1271 Screening compound: tert-butyl 4-[1-(4-nitrophenyl)-4-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
E955-1271 Screening compound: tert-butyl 4-[1-(4-nitrophenyl)-4-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E955-1271
tert-butyl 4-[1-(4-nitrophenyl)-4-{[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]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

E955-1271

Molecular Formula

C32H40N6O5 (C32 H40 N6 O5)

Compound Name

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

IUPAC name

tert-butyl 4-[1-(4-nitrophenyl)-4-{[3-(1234-tetrahydroisoquinolin-2-yl)propyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c(cc1)ccc1[N+]([O-])=O)nc1)c1C(NCCCN(CC1)Cc2c1cccc2)=O)=O

InChI

InChI=1S/C32H40N6O5/c1-32(2,3)43-31(40)36-19-14-24(15-20-36)29-28(21-34-37(29)26-9-11-27(12-10-26)38(41)42)30(39)33-16-6-17-35-18-13-23-7-4-5-8-25(23)22-35/h4-5,7-12,21,24H,6,13-20,22H2,1-3H3,(H,33,39)

InChI Key

RXJQNDUIGXFUMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.71

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.091

Distribution Coefficient, logD

4.941

Water Solubility, LogSw

-5.22

Polar Surface Area

96.424

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.90

E955-1271 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E955-1271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E955-1271?
Check Price and Availability of E955-1271, 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 E955-1271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E955-1271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E955-1271
  • 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 E955-1271 available by request