E540-0912 Screening compound: methyl 2-{6,7-diethoxy-2-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate

E540-0912 Screening compound: methyl 2-{6,7-diethoxy-2-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
E540-0912 Screening compound: methyl 2-{6,7-diethoxy-2-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E540-0912
methyl 2-{6,7-diethoxy-2-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate

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

E540-0912

Molecular Formula

C24H28N2O8S (C24 H28 N2 O8 S)

Compound Name

methyl 2-{6,7-diethoxy-2-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate

IUPAC name

methyl 2-{67-diethoxy-2-[(3-methyl-2-oxo-23-dihydro-13-benzoxazol-6-yl)sulfonyl]-1234-tetrahydroisoquinolin-1-yl}acetate

SMILES

CCOc1cc(CCN(C2CC(OC)=O)S(c(cc3)cc(O4)c3N(C)C4=O)(=O)=O)c2cc1OCC

InChI

InChI=1S/C24H28N2O8S/c1-5-32-21-11-15-9-10-26(19(14-23(27)31-4)17(15)13-22(21)33-6-2)35(29,30)16-7-8-18-20(12-16)34-24(28)25(18)3/h7-8,11-13,19H,5-6,9-10,14H2,1-4H3/t19-/m0/s1

InChI Key

WDKPVENCYRIULS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14897293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.920

Distribution Coefficient, logD

1.920

Water Solubility, LogSw

-3.15

Polar Surface Area

89.790

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with E540-0912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E540-0912?
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What is the minimum amount of E540-0912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E540-0912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E540-0912
  • 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 E540-0912 available by request