F064-0264 Screening compound: methyl 2-(6-{[(2-ethoxyphenyl)methyl]sulfamoyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate

F064-0264 Screening compound: methyl 2-(6-{[(2-ethoxyphenyl)methyl]sulfamoyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate
F064-0264 Screening compound: methyl 2-(6-{[(2-ethoxyphenyl)methyl]sulfamoyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F064-0264
methyl 2-(6-{[(2-ethoxyphenyl)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

F064-0264

Molecular Formula

C19H20N2O7S (C19 H20 N2 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(CNS(c(cc2)cc(O3)c2N(CC(OC)=O)C3=O)(=O)=O)cccc1

InChI

InChI=1S/C19H20N2O7S/c1-3-27-16-7-5-4-6-13(16)11-20-29(24,25)14-8-9-15-17(10-14)28-19(23)21(15)12-18(22)26-2/h4-10,20H,3,11-12H2,1-2H3

InChI Key

IKVRVJYIGLGPAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27098008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.388

Distribution Coefficient, logD

2.387

Water Solubility, LogSw

-2.91

Polar Surface Area

92.886

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

F064-0264 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F064-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F064-0264?
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What is the minimum amount of F064-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F064-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F064-0264
  • 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 F064-0264 available by request