Y020-5942 Screening compound: 1,2,3-trimethyl (1Z)-3-[(3Z)-6-methyl-2-oxo-3,4-dihydro-2H-1,4-benzoxazin-3-ylidene]prop-1-ene-1,2,3-tricarboxylate

Y020-5942 Screening compound: 1,2,3-trimethyl (1Z)-3-[(3Z)-6-methyl-2-oxo-3,4-dihydro-2H-1,4-benzoxazin-3-ylidene]prop-1-ene-1,2,3-tricarboxylate
Y020-5942 Screening compound: 1,2,3-trimethyl (1Z)-3-[(3Z)-6-methyl-2-oxo-3,4-dihydro-2H-1,4-benzoxazin-3-ylidene]prop-1-ene-1,2,3-tricarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5942
1,2,3-trimethyl (1Z)-3-[(3Z)-6-methyl-2-oxo-3,4-dihydro-2H-1,4-benzoxazin-3-ylidene]prop-1-ene-1,2,3-tricarboxylate

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

Y020-5942

Molecular Formula

C18H17NO8 (C18 H17 NO8)

Compound Name

1,2,3-trimethyl (1Z)-3-[(3Z)-6-methyl-2-oxo-3,4-dihydro-2H-1,4-benzoxazin-3-ylidene]prop-1-ene-1,2,3-tricarboxylate

IUPAC name

123-trimethyl (1Z)-3-[(3Z)-6-methyl-2-oxo-34-dihydro-2H-14-benzoxazin-3-ylidene]prop-1-ene-123-tricarboxylate

SMILES

Cc(cc1)cc(N/C2=C(/C(/C(OC)=O)=C/C(OC)=O)\C(OC)=O)c1OC2=O

InChI

InChI=1S/C18H17NO8/c1-9-5-6-12-11(7-9)19-15(18(23)27-12)14(17(22)26-4)10(16(21)25-3)8-13(20)24-2/h5-8,19H,1-4H3

InChI Key

HXBCGSLCKJPPGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03871867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.33

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.713

Distribution Coefficient, logD

1.399

Water Solubility, LogSw

-2.16

Polar Surface Area

95.766

Acid Dissociation Constant (pKa)

7.37

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with Y020-5942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5942?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5942
  • 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 Y020-5942 available by request