H027-4008C Screening compound: methyl N-((1S)-2-methyl-1-{[(2S)-2-(5-phenyl-1H-imidazol-2-yl)tetrahydro-1H-pyrrol-1-yl]carbonyl}propyl)carbamate

H027-4008C Screening compound: methyl N-((1S)-2-methyl-1-{[(2S)-2-(5-phenyl-1H-imidazol-2-yl)tetrahydro-1H-pyrrol-1-yl]carbonyl}propyl)carbamate
H027-4008C Screening compound: methyl N-((1S)-2-methyl-1-{[(2S)-2-(5-phenyl-1H-imidazol-2-yl)tetrahydro-1H-pyrrol-1-yl]carbonyl}propyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-4008C
methyl N-((1S)-2-methyl-1-{[(2S)-2-(5-phenyl-1H-imidazol-2-yl)tetrahydro-1H-pyrrol-1-yl]carbonyl}propyl)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

H027-4008C

Molecular Formula

C20H26N4O3 (C20 H26 N4 O3)

Compound Name

methyl N-((1S)-2-methyl-1-{[(2S)-2-(5-phenyl-1H-imidazol-2-yl)tetrahydro-1H-pyrrol-1-yl]carbonyl}propyl)carbamate

IUPAC name

methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate

SMILES

CC(C)[C@@H](C(N(CCC1)[C@@H]1c1ncc(-c2ccccc2)[nH]1)=O)NC(OC)=O

InChI

InChI=1S/C20H26N4O3/c1-13(2)17(23-20(26)27-3)19(25)24-11-7-10-16(24)18-21-12-15(22-18)14-8-5-4-6-9-14/h4-6,8-9,12-13,16-17H,7,10-11H2,1-3H3,(H,21,22)(H,23,26)/t16-,17-/m0/s1

InChI Key

ZDMZQYQKOCLRFD-IRXDYDNUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.327

Distribution Coefficient, logD

2.302

Water Solubility, LogSw

-2.48

Polar Surface Area

69.325

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.00

H027-4008C in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with H027-4008C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-4008C?
Check Price and Availability of H027-4008C, 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 H027-4008C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-4008C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-4008C
  • 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 H027-4008C available by request