D072-0592 Screening compound: 1-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]-4-ethylpiperazine

D072-0592 Screening compound: 1-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]-4-ethylpiperazine
D072-0592 Screening compound: 1-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]-4-ethylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-0592
1-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]-4-ethylpiperazine

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

D072-0592

Molecular Formula

C21H22FN3O3S (C21 H22 FN3 O3 S)

Compound Name

1-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]-4-ethylpiperazine

IUPAC name

1-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-13-oxazol-5-yl]-4-ethylpiperazine

SMILES

CCN(CC1)CCN1c(oc(-c(cc1)ccc1F)n1)c1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C21H22FN3O3S/c1-2-24-12-14-25(15-13-24)21-20(29(26,27)18-6-4-3-5-7-18)23-19(28-21)16-8-10-17(22)11-9-16/h3-11H,2,12-15H2,1H3

InChI Key

BBEHXILWBNKIGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04502902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.637

Distribution Coefficient, logD

3.026

Water Solubility, LogSw

-3.69

Polar Surface Area

55.016

Acid Dissociation Constant (pKa)

27.25

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D072-0592 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D072-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-0592?
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What is the minimum amount of D072-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-0592
  • 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 D072-0592 available by request