D403-1840 Screening compound: 1-{4-[4-(4-fluorobenzenesulfonyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl}butan-1-one

D403-1840 Screening compound: 1-{4-[4-(4-fluorobenzenesulfonyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl}butan-1-one
D403-1840 Screening compound: 1-{4-[4-(4-fluorobenzenesulfonyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl}butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D403-1840
1-{4-[4-(4-fluorobenzenesulfonyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl}butan-1-one

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

D403-1840

Molecular Formula

C24H26FN3O5S (C24 H26 FN3 O5 S)

Compound Name

1-{4-[4-(4-fluorobenzenesulfonyl)-2-(4-methoxyphenyl)-1,3-oxazol-5-yl]piperazin-1-yl}butan-1-one

IUPAC name

1-{4-[4-(4-fluorobenzenesulfonyl)-2-(4-methoxyphenyl)-13-oxazol-5-yl]piperazin-1-yl}butan-1-one

SMILES

CCCC(N(CC1)CCN1c(oc(-c(cc1)ccc1OC)n1)c1S(c(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C24H26FN3O5S/c1-3-4-21(29)27-13-15-28(16-14-27)24-23(34(30,31)20-11-7-18(25)8-12-20)26-22(33-24)17-5-9-19(32-2)10-6-17/h5-12H,3-4,13-16H2,1-2H3

InChI Key

NNJAXCNWBQNDQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.144

Distribution Coefficient, logD

4.144

Water Solubility, LogSw

-4.05

Polar Surface Area

75.223

Acid Dissociation Constant (pKa)

24.45

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D403-1840 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D403-1840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D403-1840?
Check Price and Availability of D403-1840, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D403-1840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D403-1840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D403-1840
  • 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 D403-1840 available by request