H027-4124 Screening compound: methyl {(2S,3R)-3-methoxy-1-[(2S)-2-(5-{4-[5-(2-{(2S)-1-[N-(methoxycarbonyl)-O-methyl-L-threonyl]pyrrolidin-2-yl}-1H-imidazol-5-yl)biphenyl-2-yl]buta-1,3-diyn-1-yl}-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl}carbamate

H027-4124 Screening compound: methyl {(2S,3R)-3-methoxy-1-[(2S)-2-(5-{4-[5-(2-{(2S)-1-[N-(methoxycarbonyl)-O-methyl-L-threonyl]pyrrolidin-2-yl}-1H-imidazol-5-yl)biphenyl-2-yl]buta-1,3-diyn-1-yl}-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl}carbamate
H027-4124 Screening compound: methyl {(2S,3R)-3-methoxy-1-[(2S)-2-(5-{4-[5-(2-{(2S)-1-[N-(methoxycarbonyl)-O-methyl-L-threonyl]pyrrolidin-2-yl}-1H-imidazol-5-yl)biphenyl-2-yl]buta-1,3-diyn-1-yl}-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-4124
methyl {(2S,3R)-3-methoxy-1-[(2S)-2-(5-{4-[5-(2-{(2S)-1-[N-(methoxycarbonyl)-O-methyl-L-threonyl]pyrrolidin-2-yl}-1H-imidazol-5-yl)biphenyl-2-yl]buta-1,3-diyn-1-yl}-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl}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

H027-4124

Molecular Formula

C44H50N8O8 (C44 H50 N8 O8)

Compound Name

methyl {(2S,3R)-3-methoxy-1-[(2S)-2-(5-{4-[5-(2-{(2S)-1-[N-(methoxycarbonyl)-O-methyl-L-threonyl]pyrrolidin-2-yl}-1H-imidazol-5-yl)biphenyl-2-yl]buta-1,3-diyn-1-yl}-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl}carbamate

IUPAC name

methyl N-[(2S3R)-3-methoxy-1-[(2S)-2-{5-[4-(5-{2-[(2S)-1-[(2S3R)-3-methoxy-2-[(methoxycarbonyl)amino]butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}-[11'-biphenyl]-2-yl)buta-13-diyn-1-yl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

SMILES

C[C@H]([C@@H](C(N(CCC1)[C@@H]1c1ncc(-c(cc2)cc(-c3ccccc3)c2C#CC#Cc2cnc([C@H](CCC3)N3C([C@H]([C@@H](C)OC)NC(OC)=O)=O)[nH]2)[nH]1)=O)NC(OC)=O)OC

InChI

InChI=1S/C44H50N8O8/c1-27(57-3)37(49-43(55)59-5)41(53)51-22-12-18-35(51)39-45-25-32(47-39)17-11-10-16-30-20-21-31(24-33(30)29-14-8-7-9-15-29)34-26-46-40(48-34)36-19-13-23-52(36)42(54)38(28(2)58-4)50-44(56)60-6/h7-9,14-15,20-21,24-28,35-38H,12-13,18-19,22-23H2,1-6H3,(H,45,47)(H,46,48)(H,49,55)(H,50,56)/t27-,28-,35+,36+,37+,38+/m1/s1

InChI Key

MXGUWENFHIETAG-VRANXALZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

818.93

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

21.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

4.503

Distribution Coefficient, logD

4.498

Water Solubility, LogSw

-4.14

Polar Surface Area

153.262

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with H027-4124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-4124?
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What is the minimum amount of H027-4124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-4124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-4124
  • 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 H027-4124 available by request