Y041-2447 Screening compound: 3,6-dichloro-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-4-(methylsulfanyl)butanoate

Y041-2447 Screening compound: 3,6-dichloro-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-4-(methylsulfanyl)butanoate
Y041-2447 Screening compound: 3,6-dichloro-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-4-(methylsulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2447
3,6-dichloro-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-4-(methylsulfanyl)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

Y041-2447

Molecular Formula

C23H21Cl2NO6S (C23 H21 Cl2 NO6 S)

Compound Name

3,6-dichloro-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-4-(methylsulfanyl)butanoate

IUPAC name

36-dichloro-4-methyl-2-oxo-2H-chromen-7-yl (2S)-2-{[(benzyloxy)carbonyl]amino}-4-(methylsulfanyl)butanoate

SMILES

CC(c(cc(c(OC(C(CCSC)NC(OCc1ccccc1)=O)=O)c1)Cl)c1OC1=O)=C1Cl

InChI

InChI=1S/C23H21Cl2NO6S/c1-13-15-10-16(24)19(11-18(15)31-22(28)20(13)25)32-21(27)17(8-9-33-2)26-23(29)30-12-14-6-4-3-5-7-14/h3-7,10-11,17H,8-9,12H2,1-2H3,(H,26,29)/t17-/m0/s1

InChI Key

LYEWXEVNTHMWBS-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.445

Distribution Coefficient, logD

5.445

Water Solubility, LogSw

-5.93

Polar Surface Area

74.396

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with Y041-2447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2447?
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What is the minimum amount of Y041-2447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2447
  • 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 Y041-2447 available by request