D403-1992 Screening compound: 1-[4-(4-fluorobenzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-4-(furan-2-carbonyl)piperazine

D403-1992 Screening compound: 1-[4-(4-fluorobenzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-4-(furan-2-carbonyl)piperazine
D403-1992 Screening compound: 1-[4-(4-fluorobenzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-4-(furan-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D403-1992
1-[4-(4-fluorobenzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-4-(furan-2-carbonyl)piperazine

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

D403-1992

Molecular Formula

C25H22FN3O5S (C25 H22 FN3 O5 S)

Compound Name

1-[4-(4-fluorobenzenesulfonyl)-2-(3-methylphenyl)-1,3-oxazol-5-yl]-4-(furan-2-carbonyl)piperazine

IUPAC name

1-[4-(4-fluorobenzenesulfonyl)-2-(3-methylphenyl)-13-oxazol-5-yl]-4-(furan-2-carbonyl)piperazine

SMILES

Cc1cccc(-c2nc(S(c(cc3)ccc3F)(=O)=O)c(N(CC3)CCN3C(c3ccco3)=O)o2)c1

InChI

InChI=1S/C25H22FN3O5S/c1-17-4-2-5-18(16-17)22-27-23(35(31,32)20-9-7-19(26)8-10-20)25(34-22)29-13-11-28(12-14-29)24(30)21-6-3-15-33-21/h2-10,15-16H,11-14H2,1H3

InChI Key

RTJYXKUYXOSPNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18181509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.158

Distribution Coefficient, logD

4.158

Water Solubility, LogSw

-4.23

Polar Surface Area

76.513

Acid Dissociation Constant (pKa)

27.44

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D403-1992 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D403-1992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D403-1992?
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What is the minimum amount of D403-1992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D403-1992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D403-1992
  • 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 D403-1992 available by request