H027-4081 Screening compound: methyl N-((1S)-1-{[(2S)-2-(1H-imidazol-2-yl)tetrahydro-1H-pyrrol-1-yl]carbonyl}-2-methylpropyl)carbamate

H027-4081 Screening compound: methyl N-((1S)-1-{[(2S)-2-(1H-imidazol-2-yl)tetrahydro-1H-pyrrol-1-yl]carbonyl}-2-methylpropyl)carbamate
H027-4081 Screening compound: methyl N-((1S)-1-{[(2S)-2-(1H-imidazol-2-yl)tetrahydro-1H-pyrrol-1-yl]carbonyl}-2-methylpropyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-4081
methyl N-((1S)-1-{[(2S)-2-(1H-imidazol-2-yl)tetrahydro-1H-pyrrol-1-yl]carbonyl}-2-methylpropyl)carbamate

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

H027-4081

Molecular Formula

C14H22N4O3 (C14 H22 N4 O3)

Compound Name

methyl N-((1S)-1-{[(2S)-2-(1H-imidazol-2-yl)tetrahydro-1H-pyrrol-1-yl]carbonyl}-2-methylpropyl)carbamate

IUPAC name

methyl N-[(2S)-1-[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

SMILES

CC(C)[C@@H](C(N(CCC1)[C@@H]1c1ncc[nH]1)=O)NC(OC)=O

InChI

InChI=1S/C14H22N4O3/c1-9(2)11(17-14(20)21-3)13(19)18-8-4-5-10(18)12-15-6-7-16-12/h6-7,9-11H,4-5,8H2,1-3H3,(H,15,16)(H,17,20)/t10-,11-/m0/s1

InChI Key

WXOHKDFJMSFWDT-QWRGUYRKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.445

Distribution Coefficient, logD

0.421

Water Solubility, LogSw

-1.39

Polar Surface Area

69.939

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.29

References: we are preparing a list of scientific research reports with H027-4081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-4081?
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What is the minimum amount of H027-4081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-4081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-4081
  • 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 H027-4081 available by request