H027-4028C Screening compound: 2-[(2S)tetrahydro-1H-pyrrol-2-yl]-5-[4-(4-{2-[(2S)tetrahydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl}-1,3-butadiynyl)phenyl]-1H-imidazole

H027-4028C Screening compound: 2-[(2S)tetrahydro-1H-pyrrol-2-yl]-5-[4-(4-{2-[(2S)tetrahydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl}-1,3-butadiynyl)phenyl]-1H-imidazole
H027-4028C Screening compound: 2-[(2S)tetrahydro-1H-pyrrol-2-yl]-5-[4-(4-{2-[(2S)tetrahydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl}-1,3-butadiynyl)phenyl]-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-4028C
2-[(2S)tetrahydro-1H-pyrrol-2-yl]-5-[4-(4-{2-[(2S)tetrahydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl}-1,3-butadiynyl)phenyl]-1H-imidazole

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

H027-4028C

Molecular Formula

C24H24N6 (C24 H24 N6)

Compound Name

2-[(2S)tetrahydro-1H-pyrrol-2-yl]-5-[4-(4-{2-[(2S)tetrahydro-1H-pyrrol-2-yl]-1H-imidazol-5-yl}-1,3-butadiynyl)phenyl]-1H-imidazole

IUPAC name

2-[(2S)-pyrrolidin-2-yl]-5-[4-(4-{2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl}buta-13-diyn-1-yl)phenyl]-1H-imidazole

SMILES

C(C1)CN[C@@H]1c1ncc(-c(cc2)ccc2C#CC#Cc2cnc([C@H]3NCCC3)[nH]2)[nH]1

InChI

InChI=1S/C24H24N6/c1(2-6-19-15-27-23(29-19)20-7-3-13-25-20)5-17-9-11-18(12-10-17)22-16-28-24(30-22)21-8-4-14-26-21/h9-12,15-16,20-21,25-26H,3-4,7-8,13-14H2,(H,27,29)(H,28,30)/t20-,21-/m0/s1

InChI Key

FGZGVLDOEZVLLE-SFTDATJTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

4HCl

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.834

Distribution Coefficient, logD

0.076

Water Solubility, LogSw

-1.13

Polar Surface Area

65.211

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

8.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

H027-4028C in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with H027-4028C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-4028C?
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What is the minimum amount of H027-4028C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-4028C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-4028C
  • 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 H027-4028C available by request