E951-1313 Screening compound: tert-butyl 4-[1-(3,4-dimethylphenyl)-4-[({1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}methyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

E951-1313 Screening compound: tert-butyl 4-[1-(3,4-dimethylphenyl)-4-[({1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}methyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate
E951-1313 Screening compound: tert-butyl 4-[1-(3,4-dimethylphenyl)-4-[({1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}methyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E951-1313
tert-butyl 4-[1-(3,4-dimethylphenyl)-4-[({1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}methyl)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

E951-1313

Molecular Formula

C37H51N5O4 (C37 H51 N5 O4)

Compound Name

tert-butyl 4-[1-(3,4-dimethylphenyl)-4-[({1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}methyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[1-(34-dimethylphenyl)-4-[({1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}methyl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c1cc(C)c(C)cc1)nc1)c1C(NCC1CCN(CCc(cc2)ccc2OC)CC1)=O)=O

InChI

InChI=1S/C37H51N5O4/c1-26-7-10-31(23-27(26)2)42-34(30-16-21-41(22-17-30)36(44)46-37(3,4)5)33(25-39-42)35(43)38-24-29-14-19-40(20-15-29)18-13-28-8-11-32(45-6)12-9-28/h7-12,23,25,29-30H,13-22,24H2,1-6H3,(H,38,43)

InChI Key

NDSBPPVSWBQJPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

629.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.902

Distribution Coefficient, logD

5.421

Water Solubility, LogSw

-5.55

Polar Surface Area

70.811

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

9.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.10

E951-1313 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with E951-1313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E951-1313?
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What is the minimum amount of E951-1313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E951-1313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E951-1313
  • 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 E951-1313 available by request