Y043-1880 Screening compound: (2S,3R)-2-({2-[7,8-dimethoxy-1-oxo-2(1H)-phthalazinyl]acetyl}amino)-3-methylpentanoic acid

Y043-1880 Screening compound: (2S,3R)-2-({2-[7,8-dimethoxy-1-oxo-2(1H)-phthalazinyl]acetyl}amino)-3-methylpentanoic acid
Y043-1880 Screening compound: (2S,3R)-2-({2-[7,8-dimethoxy-1-oxo-2(1H)-phthalazinyl]acetyl}amino)-3-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-1880
(2S,3R)-2-({2-[7,8-dimethoxy-1-oxo-2(1H)-phthalazinyl]acetyl}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

Y043-1880

Molecular Formula

C18H23N3O6 (C18 H23 N3 O6)

Compound Name

(2S,3R)-2-({2-[7,8-dimethoxy-1-oxo-2(1H)-phthalazinyl]acetyl}amino)-3-methylpentanoic acid

IUPAC name

(2S3R)-2-[2-(78-dimethoxy-1-oxo-12-dihydrophthalazin-2-yl)acetamido]-3-methylpentanoic acid

SMILES

CC[C@@H](C)[C@@H](C(O)=O)NC(CN(C(c1c2OC)=O)N=Cc1ccc2OC)=O

InChI

InChI=1S/C18H23N3O6/c1-5-10(2)15(18(24)25)20-13(22)9-21-17(23)14-11(8-19-21)6-7-12(26-3)16(14)27-4/h6-8,10,15H,5,9H2,1-4H3,(H,20,22)(H,24,25)/t10-,15+/m1/s1

InChI Key

LHQAMIDHZIDRLE-BMIGLBTASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.202

Distribution Coefficient, logD

-3.831

Water Solubility, LogSw

-2.17

Polar Surface Area

96.081

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.44

Y043-1880 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-1880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-1880?
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What is the minimum amount of Y043-1880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-1880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-1880
  • 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 Y043-1880 available by request