H027-4075 Screening compound: methyl N-((1S)-1-{[(2S)-2-(5-iodo-1H-imidazol-2-yl)tetrahydro-1H-pyrrol-1-yl]carbonyl}-2-methylpropyl)carbamate

H027-4075 Screening compound: methyl N-((1S)-1-{[(2S)-2-(5-iodo-1H-imidazol-2-yl)tetrahydro-1H-pyrrol-1-yl]carbonyl}-2-methylpropyl)carbamate
H027-4075 Screening compound: methyl N-((1S)-1-{[(2S)-2-(5-iodo-1H-imidazol-2-yl)tetrahydro-1H-pyrrol-1-yl]carbonyl}-2-methylpropyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-4075
methyl N-((1S)-1-{[(2S)-2-(5-iodo-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

H027-4075

Molecular Formula

C14H21IN4O3 (C14 H21 IN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)[C@@H](C(N(CCC1)[C@@H]1c([nH]1)ncc1I)=O)NC(OC)=O

InChI

InChI=1S/C14H21IN4O3/c1-8(2)11(18-14(21)22-3)13(20)19-6-4-5-9(19)12-16-7-10(15)17-12/h7-9,11H,4-6H2,1-3H3,(H,16,17)(H,18,21)/t9-,11-/m0/s1

InChI Key

BXBHCROZGYICHP-ONGXEEELSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.25

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

1.378

Distribution Coefficient, logD

1.376

Water Solubility, LogSw

-1.82

Polar Surface Area

69.064

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.29

H027-4075 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with H027-4075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-4075?
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What is the minimum amount of H027-4075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-4075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-4075
  • 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 H027-4075 available by request