5809-0035 Screening compound: 4-methyl-2-[(3-methyl-2-{[(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)carbonyl]amino}butanoyl)amino]pentanoic acid

5809-0035 Screening compound: 4-methyl-2-[(3-methyl-2-{[(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)carbonyl]amino}butanoyl)amino]pentanoic acid
5809-0035 Screening compound: 4-methyl-2-[(3-methyl-2-{[(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)carbonyl]amino}butanoyl)amino]pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5809-0035
4-methyl-2-[(3-methyl-2-{[(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)carbonyl]amino}butanoyl)amino]pentanoic acid

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

5809-0035

Molecular Formula

C23H38N2O9 (C23 H38 N2 O9)

Compound Name

4-methyl-2-[(3-methyl-2-{[(2,2,7,7-tetramethyltetrahydro-3aH-di[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)carbonyl]amino}butanoyl)amino]pentanoic acid

IUPAC name

4-methyl-2-[3-methyl-2-({441111-tetramethyl-3571012-pentaoxatricyclo[7.3.0.0^{26}]dodecan-8-yl}formamido)butanamido]pentanoic acid

SMILES

CC(C)CC(C(O)=O)NC(C(C(C)C)NC(C1OC2OC(C)(C)OC2C2OC(C)(C)OC12)=O)=O

InChI

InChI=1S/C23H38N2O9/c1-10(2)9-12(20(28)29)24-18(26)13(11(3)4)25-19(27)16-14-15(32-22(5,6)31-14)17-21(30-16)34-23(7,8)33-17/h10-17,21H,9H2,1-8H3,(H,24,26)(H,25,27)(H,28,29)

InChI Key

ZZHGKGQIPZGFLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03444922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.979

Distribution Coefficient, logD

-2.681

Water Solubility, LogSw

-1.28

Polar Surface Area

116.844

Acid Dissociation Constant (pKa)

3.74

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

87.00

5809-0035 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5809-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5809-0035?
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What is the minimum amount of 5809-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5809-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5809-0035
  • 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 5809-0035 available by request