F064-0075 Screening compound: methyl 2-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate

F064-0075 Screening compound: methyl 2-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate
F064-0075 Screening compound: methyl 2-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F064-0075
methyl 2-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-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

F064-0075

Molecular Formula

C18H16N2O8S (C18 H16 N2 O8 S)

Compound Name

methyl 2-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate

IUPAC name

methyl 2-(6-{[(2H-13-benzodioxol-5-yl)methyl]sulfamoyl}-2-oxo-23-dihydro-13-benzoxazol-3-yl)acetate

SMILES

COC(CN(c(ccc(S(NCc(cc1)cc2c1OCO2)(=O)=O)c1)c1O1)C1=O)=O

InChI

InChI=1S/C18H16N2O8S/c1-25-17(21)9-20-13-4-3-12(7-15(13)28-18(20)22)29(23,24)19-8-11-2-5-14-16(6-11)27-10-26-14/h2-7,19H,8-10H2,1H3

InChI Key

ZSLKIAKOBSCHCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27097907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.4

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.745

Distribution Coefficient, logD

1.745

Water Solubility, LogSw

-2.68

Polar Surface Area

102.791

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with F064-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F064-0075?
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What is the minimum amount of F064-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F064-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F064-0075
  • 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 F064-0075 available by request