H027-4128 Screening compound: methyl [(2S)-1-{(2S)-2-[5-(4'-{2-[(2S)-1-{(2S,3R)-3-methoxy-2-[(methoxycarbonyl)amino]butanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}-1,1':2',1''-terphenyl-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate

H027-4128 Screening compound: methyl [(2S)-1-{(2S)-2-[5-(4'-{2-[(2S)-1-{(2S,3R)-3-methoxy-2-[(methoxycarbonyl)amino]butanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}-1,1':2',1''-terphenyl-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate
H027-4128 Screening compound: methyl [(2S)-1-{(2S)-2-[5-(4'-{2-[(2S)-1-{(2S,3R)-3-methoxy-2-[(methoxycarbonyl)amino]butanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}-1,1':2',1''-terphenyl-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-4128
methyl [(2S)-1-{(2S)-2-[5-(4'-{2-[(2S)-1-{(2S,3R)-3-methoxy-2-[(methoxycarbonyl)amino]butanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}-1,1':2',1''-terphenyl-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-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

H027-4128

Molecular Formula

C46H54N8O7 (C46 H54 N8 O7)

Compound Name

methyl [(2S)-1-{(2S)-2-[5-(4'-{2-[(2S)-1-{(2S,3R)-3-methoxy-2-[(methoxycarbonyl)amino]butanoyl}pyrrolidin-2-yl]-1H-imidazol-5-yl}-1,1':2',1''-terphenyl-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate

IUPAC name

methyl N-[(2S3R)-3-methoxy-1-[(2S)-2-{5-[6-(4-{2-[(2S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)-[11'-biphenyl]-3-yl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

SMILES

CC(C)[C@@H](C(N(CCC1)[C@@H]1c1ncc(-c(cc2)ccc2-c(ccc(-c2cnc([C@H](CCC3)N3C([C@H]([C@@H](C)OC)NC(OC)=O)=O)[nH]2)c2)c2-c2ccccc2)[nH]1)=O)NC(OC)=O

InChI

InChI=1S/C46H54N8O7/c1-27(2)39(51-45(57)60-5)43(55)53-22-10-14-37(53)41-47-25-35(49-41)31-18-16-30(17-19-31)33-21-20-32(24-34(33)29-12-8-7-9-13-29)36-26-48-42(50-36)38-15-11-23-54(38)44(56)40(28(3)59-4)52-46(58)61-6/h7-9,12-13,16-21,24-28,37-40H,10-11,14-15,22-23H2,1-6H3,(H,47,49)(H,48,50)(H,51,57)(H,52,58)/t28-,37+,38+,39+,40+/m1/s1

InChI Key

GCEWMGXSNWKBGN-LWUZZSALSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

830.98

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

5.295

Distribution Coefficient, logD

5.271

Water Solubility, LogSw

-5.14

Polar Surface Area

145.181

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

39.13

References: we are preparing a list of scientific research reports with H027-4128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-4128?
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What is the minimum amount of H027-4128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-4128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-4128
  • 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 H027-4128 available by request