Y040-3645 Screening compound: 7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-{[(4-methylphenyl)sulfonyl]amino}butanoate

Y040-3645 Screening compound: 7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-{[(4-methylphenyl)sulfonyl]amino}butanoate
Y040-3645 Screening compound: 7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-{[(4-methylphenyl)sulfonyl]amino}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3645
7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-{[(4-methylphenyl)sulfonyl]amino}butanoate

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

Y040-3645

Molecular Formula

C24H25NO6S (C24 H25 NO6 S)

Compound Name

7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl 2-{[(4-methylphenyl)sulfonyl]amino}butanoate

IUPAC name

7-methyl-4-oxo-1H2H3H4H-cyclopenta[c]chromen-9-yl 2-(4-methylbenzenesulfonamido)butanoate

SMILES

CCC(C(Oc1c(C(CCC2)=C2C(O2)=O)c2cc(C)c1)=O)NS(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C24H25NO6S/c1-4-19(25-32(28,29)16-10-8-14(2)9-11-16)24(27)31-21-13-15(3)12-20-22(21)17-6-5-7-18(17)23(26)30-20/h8-13,19,25H,4-7H2,1-3H3/t19-/m0/s1

InChI Key

DEXRSRMVRRBHLM-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04006617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.772

Distribution Coefficient, logD

4.772

Water Solubility, LogSw

-4.72

Polar Surface Area

83.785

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

-7.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

Y040-3645 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-3645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3645?
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What is the minimum amount of Y040-3645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3645
  • 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 Y040-3645 available by request