V006-8133 Screening compound: 2-[(4-chlorobenzyl)sulfanyl]-N-[4-(2-fluorophenyl)-3-(methoxymethyl)-5-isoxazolyl]acetamide

V006-8133 Screening compound: 2-[(4-chlorobenzyl)sulfanyl]-N-[4-(2-fluorophenyl)-3-(methoxymethyl)-5-isoxazolyl]acetamide
V006-8133 Screening compound: 2-[(4-chlorobenzyl)sulfanyl]-N-[4-(2-fluorophenyl)-3-(methoxymethyl)-5-isoxazolyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-8133
2-[(4-chlorobenzyl)sulfanyl]-N-[4-(2-fluorophenyl)-3-(methoxymethyl)-5-isoxazolyl]acetamide

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

V006-8133

Molecular Formula

C20H18ClFN2O3S (C20 H18 ClFN2 O3 S)

Compound Name

2-[(4-chlorobenzyl)sulfanyl]-N-[4-(2-fluorophenyl)-3-(methoxymethyl)-5-isoxazolyl]acetamide

IUPAC name

2-{[(4-chlorophenyl)methyl]sulfanyl}-N-[4-(2-fluorophenyl)-3-(methoxymethyl)-12-oxazol-5-yl]acetamide

SMILES

COCc1noc(NC(CSCc(cc2)ccc2Cl)=O)c1-c(cccc1)c1F

InChI

InChI=1S/C20H18ClFN2O3S/c1-26-10-17-19(15-4-2-3-5-16(15)22)20(27-24-17)23-18(25)12-28-11-13-6-8-14(21)9-7-13/h2-9H,10-12H2,1H3,(H,23,25)

InChI Key

IXKSWPZLLMGAQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19956104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.110

Distribution Coefficient, logD

3.663

Water Solubility, LogSw

-4.98

Polar Surface Area

54.622

Acid Dissociation Constant (pKa)

7.15

Base Dissociation Constant (pKb)

-5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with V006-8133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-8133?
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What is the minimum amount of V006-8133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-8133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-8133
  • 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 V006-8133 available by request