Y501-1408 Screening compound: methyl 2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

Y501-1408 Screening compound: methyl 2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Y501-1408 Screening compound: methyl 2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-1408
methyl 2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

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

Y501-1408

Molecular Formula

C27H28BrNO6 (C27 H28 BrNO6)

Compound Name

methyl 2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

IUPAC name

methyl 2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-77-dimethyl-5-oxo-5678-tetrahydro-4H-chromene-3-carboxylate

SMILES

CC(C)(C1)CC(OC(N)=C(C2c(cc3)cc(COc4cccc(Br)c4)c3OC)C(OC)=O)=C2C1=O

InChI

InChI=1S/C27H28BrNO6/c1-27(2)12-19(30)23-21(13-27)35-25(29)24(26(31)33-4)22(23)15-8-9-20(32-3)16(10-15)14-34-18-7-5-6-17(28)11-18/h5-11,22H,12-14,29H2,1-4H3/t22-/m1/s1

InChI Key

MIQFOXRQRYVYGK-JOCHJYFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.593

Distribution Coefficient, logD

4.593

Water Solubility, LogSw

-4.84

Polar Surface Area

78.578

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with Y501-1408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-1408?
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What is the minimum amount of Y501-1408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-1408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-1408
  • 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 Y501-1408 available by request