F064-1347 Screening compound: propyl 2-(6-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate

F064-1347 Screening compound: propyl 2-(6-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate
F064-1347 Screening compound: propyl 2-(6-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound F064-1347
propyl 2-(6-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}-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

F064-1347

Molecular Formula

C23H27N3O7S (C23 H27 N3 O7 S)

Compound Name

propyl 2-(6-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate

IUPAC name

propyl 2-(6-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}-2-oxo-23-dihydro-13-benzoxazol-3-yl)acetate

SMILES

CCCOC(CN(c(ccc(S(N(CC1)CCN1c(cc1)ccc1OC)(=O)=O)c1)c1O1)C1=O)=O

InChI

InChI=1S/C23H27N3O7S/c1-3-14-32-22(27)16-26-20-9-8-19(15-21(20)33-23(26)28)34(29,30)25-12-10-24(11-13-25)17-4-6-18(31-2)7-5-17/h4-9,15H,3,10-14,16H2,1-2H3

InChI Key

JVHBNGVZYDSZCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27098108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.081

Distribution Coefficient, logD

3.081

Water Solubility, LogSw

-3.61

Polar Surface Area

86.306

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

F064-1347 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 F064-1347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F064-1347?
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What is the minimum amount of F064-1347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F064-1347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F064-1347
  • 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 F064-1347 available by request