V006-9772 Screening compound: 2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]piperazin-1-yl}methyl)-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one

V006-9772 Screening compound: 2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]piperazin-1-yl}methyl)-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
V006-9772 Screening compound: 2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]piperazin-1-yl}methyl)-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-9772
2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]piperazin-1-yl}methyl)-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-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

V006-9772

Molecular Formula

C26H26ClF3N2O6S2 (C26 H26 ClF3 N2 O6 S2)

Compound Name

2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]piperazin-1-yl}methyl)-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one

IUPAC name

2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]piperazin-1-yl}methyl)-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one

SMILES

CC(C)S(c1csc(C(N2CCN(CC(OC=C3OCc4ccc(C(F)(F)F)cc4)=CC3=O)CC2)=O)c1Cl)(=O)=O

InChI

InChI=1S/C26H26ClF3N2O6S2/c1-16(2)40(35,36)22-15-39-24(23(22)27)25(34)32-9-7-31(8-10-32)12-19-11-20(33)21(14-37-19)38-13-17-3-5-18(6-4-17)26(28,29)30/h3-6,11,14-16H,7-10,12-13H2,1-2H3

InChI Key

XTOMPVBTZHSEAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19966260

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

619.08

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.942

Distribution Coefficient, logD

3.941

Water Solubility, LogSw

-4.48

Polar Surface Area

81.130

Acid Dissociation Constant (pKa)

19.10

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with V006-9772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-9772?
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What is the minimum amount of V006-9772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-9772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-9772
  • 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 V006-9772 available by request