Y040-8410 Screening compound: (2S)-4-methyl-2-({2-[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]propanoyl}amino)pentanoic acid

Y040-8410 Screening compound: (2S)-4-methyl-2-({2-[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]propanoyl}amino)pentanoic acid
Y040-8410 Screening compound: (2S)-4-methyl-2-({2-[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]propanoyl}amino)pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8410
(2S)-4-methyl-2-({2-[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]propanoyl}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

Y040-8410

Molecular Formula

C22H27NO6 (C22 H27 NO6)

Compound Name

(2S)-4-methyl-2-({2-[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]propanoyl}amino)pentanoic acid

IUPAC name

(2S)-4-methyl-2-[2-({6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl}oxy)propanamido]pentanoic acid

SMILES

CC(C)CC(C(O)=O)NC(C(C)Oc(cc1)cc(O2)c1C(CCCC1)=C1C2=O)=O

InChI

InChI=1S/C22H27NO6/c1-12(2)10-18(21(25)26)23-20(24)13(3)28-14-8-9-16-15-6-4-5-7-17(15)22(27)29-19(16)11-14/h8-9,11-13,18H,4-7,10H2,1-3H3,(H,23,24)(H,25,26)/t13?,18-/m0/s1

InChI Key

MPLPGXPNFRRIQN-UWBLVGDVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.427

Distribution Coefficient, logD

-1.191

Water Solubility, LogSw

-2.93

Polar Surface Area

80.593

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

Y040-8410 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y040-8410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8410?
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What is the minimum amount of Y040-8410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8410
  • 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 Y040-8410 available by request