Y040-8490 Screening compound: 3-[4-(methylsulfanyl)-2-[2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]butanamido]propanoic acid

Y040-8490 Screening compound: 3-[4-(methylsulfanyl)-2-[2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]butanamido]propanoic acid
Y040-8490 Screening compound: 3-[4-(methylsulfanyl)-2-[2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]butanamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8490
3-[4-(methylsulfanyl)-2-[2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]butanamido]propanoic 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

Y040-8490

Molecular Formula

C23H28N2O7S (C23 H28 N2 O7 S)

Compound Name

3-[4-(methylsulfanyl)-2-[2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]butanamido]propanoic acid

IUPAC name

3-[(2S)-4-(methylsulfanyl)-2-[2-({6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]butanamido]propanoic acid

SMILES

CSCCC(C(NCCC(O)=O)=O)NC(COc(cc1)cc(O2)c1C(CCCC1)=C1C2=O)=O

InChI

InChI=1S/C23H28N2O7S/c1-33-11-9-18(22(29)24-10-8-21(27)28)25-20(26)13-31-14-6-7-16-15-4-2-3-5-17(15)23(30)32-19(16)12-14/h6-7,12,18H,2-5,8-11,13H2,1H3,(H,24,29)(H,25,26)(H,27,28)/t18-/m0/s1

InChI Key

XIWGSXSQMYHDBK-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.513

Distribution Coefficient, logD

-1.183

Water Solubility, LogSw

-2.38

Polar Surface Area

105.592

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

Y040-8490 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with Y040-8490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8490?
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What is the minimum amount of Y040-8490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8490
  • 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 Y040-8490 available by request