Y043-8506 Screening compound: (2S,3S)-2-({2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)-3-methylpentanoic acid

Y043-8506 Screening compound: (2S,3S)-2-({2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)-3-methylpentanoic acid
Y043-8506 Screening compound: (2S,3S)-2-({2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)-3-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8506
(2S,3S)-2-({2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)-3-methylpentanoic 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

Y043-8506

Molecular Formula

C23H31NO6 (C23 H31 NO6)

Compound Name

(2S,3S)-2-({2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}amino)-3-methylpentanoic acid

IUPAC name

(2S3S)-2-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-3-methylpentanoic acid

SMILES

CCCCC(c(ccc(OC(C)C(N[C@@H]([C@@H](C)CC)C(O)=O)=O)c1C)c1O1)=CC1=O

InChI

InChI=1S/C23H31NO6/c1-6-8-9-16-12-19(25)30-21-14(4)18(11-10-17(16)21)29-15(5)22(26)24-20(23(27)28)13(3)7-2/h10-13,15,20H,6-9H2,1-5H3,(H,24,26)(H,27,28)/t13-,15?,20-/m0/s1

InChI Key

DJTNPIMWQHAAEA-UKEAJUSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.130

Distribution Coefficient, logD

-0.457

Water Solubility, LogSw

-3.47

Polar Surface Area

79.651

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

52.17

References: we are preparing a list of scientific research reports with Y043-8506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8506?
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What is the minimum amount of Y043-8506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8506
  • 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 Y043-8506 available by request