H025-3259 Screening compound: methyl N-((1S)-1-{[(2S)-2-(5-{4-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-ethynyl]phenyl}-1H-imidazol-2-yl)tetrahydro-1H-pyrrol-1-yl]carbonyl}-2-methylpropyl)carbamate

H025-3259 Screening compound: methyl N-((1S)-1-{[(2S)-2-(5-{4-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-ethynyl]phenyl}-1H-imidazol-2-yl)tetrahydro-1H-pyrrol-1-yl]carbonyl}-2-methylpropyl)carbamate
H025-3259 Screening compound: methyl N-((1S)-1-{[(2S)-2-(5-{4-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-ethynyl]phenyl}-1H-imidazol-2-yl)tetrahydro-1H-pyrrol-1-yl]carbonyl}-2-methylpropyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-3259
methyl N-((1S)-1-{[(2S)-2-(5-{4-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-ethynyl]phenyl}-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

H025-3259

Molecular Formula

C32H38N8O5 (C32 H38 N8 O5)

Compound Name

methyl N-((1S)-1-{[(2S)-2-(5-{4-[2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-ethynyl]phenyl}-1H-imidazol-2-yl)tetrahydro-1H-pyrrol-1-yl]carbonyl}-2-methylpropyl)carbamate

IUPAC name

methyl N-[(2S)-1-[(2S)-2-(5-{4-[2-(13-diethyl-7-methyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)ethynyl]phenyl}-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

SMILES

CCN(c1c(C(N2CC)=O)n(C)c(C#Cc(cc3)ccc3-c3cnc([C@H](CCC4)N4C([C@H](C(C)C)NC(OC)=O)=O)[nH]3)n1)C2=O

InChI

InChI=1S/C32H38N8O5/c1-7-38-28-26(30(42)39(8-2)32(38)44)37(5)24(35-28)16-13-20-11-14-21(15-12-20)22-18-33-27(34-22)23-10-9-17-40(23)29(41)25(19(3)4)36-31(43)45-6/h11-12,14-15,18-19,23,25H,7-10,17H2,1-6H3,(H,33,34)(H,36,43)/t23-,25-/m0/s1

InChI Key

LTRMFXNNYFPQAX-ZCYQVOJMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

614.7

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.914

Distribution Coefficient, logD

3.890

Water Solubility, LogSw

-3.86

Polar Surface Area

113.495

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.75

H025-3259 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 H025-3259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-3259?
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What is the minimum amount of H025-3259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-3259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-3259
  • 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 H025-3259 available by request