H027-4014C Screening compound: methyl N-[(1S)-2-methyl-1-({(2S)-2-[5-(2-naphthyl)-1H-imidazol-2-yl]tetrahydro-1H-pyrrol-1-yl}carbonyl)propyl]carbamate

H027-4014C Screening compound: methyl N-[(1S)-2-methyl-1-({(2S)-2-[5-(2-naphthyl)-1H-imidazol-2-yl]tetrahydro-1H-pyrrol-1-yl}carbonyl)propyl]carbamate
H027-4014C Screening compound: methyl N-[(1S)-2-methyl-1-({(2S)-2-[5-(2-naphthyl)-1H-imidazol-2-yl]tetrahydro-1H-pyrrol-1-yl}carbonyl)propyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-4014C
methyl N-[(1S)-2-methyl-1-({(2S)-2-[5-(2-naphthyl)-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

H027-4014C

Molecular Formula

C24H28N4O3 (C24 H28 N4 O3)

Compound Name

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

IUPAC name

methyl N-[(2S)-3-methyl-1-[(2S)-2-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

SMILES

CC(C)[C@@H](C(N(CCC1)[C@@H]1c1ncc(-c2cc3ccccc3cc2)[nH]1)=O)NC(OC)=O

InChI

InChI=1S/C24H28N4O3/c1-15(2)21(27-24(30)31-3)23(29)28-12-6-9-20(28)22-25-14-19(26-22)18-11-10-16-7-4-5-8-17(16)13-18/h4-5,7-8,10-11,13-15,20-21H,6,9,12H2,1-3H3,(H,25,26)(H,27,30)/t20-,21-/m0/s1

InChI Key

NEJOYEHHPYJIRE-SFTDATJTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

420.51

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

3.597

Distribution Coefficient, logD

3.596

Water Solubility, LogSw

-3.67

Polar Surface Area

69.053

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

H027-4014C in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with H027-4014C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-4014C?
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What is the minimum amount of H027-4014C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-4014C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-4014C
  • 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 H027-4014C available by request