Y040-7682 Screening compound: 2-({2-hexyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)-N-[3-(morpholine-4-sulfonyl)phenyl]acetamide

Y040-7682 Screening compound: 2-({2-hexyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)-N-[3-(morpholine-4-sulfonyl)phenyl]acetamide
Y040-7682 Screening compound: 2-({2-hexyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)-N-[3-(morpholine-4-sulfonyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7682
2-({2-hexyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)-N-[3-(morpholine-4-sulfonyl)phenyl]acetamide

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

Y040-7682

Molecular Formula

C31H38N2O7S (C31 H38 N2 O7 S)

Compound Name

2-({2-hexyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)-N-[3-(morpholine-4-sulfonyl)phenyl]acetamide

IUPAC name

2-({2-hexyl-6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl}oxy)-N-[3-(morpholine-4-sulfonyl)phenyl]acetamide

SMILES

CCCCCCc(cc(C(CCCC1)=C1C(O1)=O)c1c1)c1OCC(Nc1cccc(S(N2CCOCC2)(=O)=O)c1)=O

InChI

InChI=1S/C31H38N2O7S/c1-2-3-4-5-9-22-18-27-25-12-6-7-13-26(25)31(35)40-29(27)20-28(22)39-21-30(34)32-23-10-8-11-24(19-23)41(36,37)33-14-16-38-17-15-33/h8,10-11,18-20H,2-7,9,12-17,21H2,1H3,(H,32,34)

InChI Key

QZDIAEBISLSSLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03476102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.72

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.461

Distribution Coefficient, logD

6.461

Water Solubility, LogSw

-5.56

Polar Surface Area

91.164

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.40

Y040-7682 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 Y040-7682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7682?
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What is the minimum amount of Y040-7682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7682
  • 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 Y040-7682 available by request