F570-0257 Screening compound: 2-(4-chlorophenyl)-7-({4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

F570-0257 Screening compound: 2-(4-chlorophenyl)-7-({4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
F570-0257 Screening compound: 2-(4-chlorophenyl)-7-({4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F570-0257
2-(4-chlorophenyl)-7-({4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-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

F570-0257

Molecular Formula

C21H21ClN6O4S2 (C21 H21 ClN6 O4 S2)

Compound Name

2-(4-chlorophenyl)-7-({4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

2-(4-chlorophenyl)-7-({4-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]piperazin-1-yl}methyl)-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

Cc1noc(C)c1S(N1CCN(CC(N=C2SC(c(cc3)ccc3Cl)=NN22)=CC2=O)CC1)(=O)=O

InChI

InChI=1S/C21H21ClN6O4S2/c1-13-19(14(2)32-25-13)34(30,31)27-9-7-26(8-10-27)12-17-11-18(29)28-21(23-17)33-20(24-28)15-3-5-16(22)6-4-15/h3-6,11H,7-10,12H2,1-2H3

InChI Key

MGTKMHYIETYACE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14959243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.02

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.886

Distribution Coefficient, logD

1.884

Water Solubility, LogSw

-2.88

Polar Surface Area

95.560

Acid Dissociation Constant (pKa)

27.24

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F570-0257 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 F570-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F570-0257?
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What is the minimum amount of F570-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F570-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F570-0257
  • 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 F570-0257 available by request