V006-9784 Screening compound: 5-[(4-tert-butylphenyl)methoxy]-2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]piperazin-1-yl}methyl)-4H-pyran-4-one

V006-9784 Screening compound: 5-[(4-tert-butylphenyl)methoxy]-2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]piperazin-1-yl}methyl)-4H-pyran-4-one
V006-9784 Screening compound: 5-[(4-tert-butylphenyl)methoxy]-2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]piperazin-1-yl}methyl)-4H-pyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-9784
5-[(4-tert-butylphenyl)methoxy]-2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]piperazin-1-yl}methyl)-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

V006-9784

Molecular Formula

C29H35ClN2O6S2 (C29 H35 ClN2 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C29H35ClN2O6S2/c1-19(2)40(35,36)25-18-39-27(26(25)30)28(34)32-12-10-31(11-13-32)15-22-14-23(33)24(17-37-22)38-16-20-6-8-21(9-7-20)29(3,4)5/h6-9,14,17-19H,10-13,15-16H2,1-5H3

InChI Key

FLNJKTMKUAZDSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19966280

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

607.19

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

4.863

Distribution Coefficient, logD

4.863

Water Solubility, LogSw

-4.92

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

44.80

V006-9784 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V006-9784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-9784?
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What is the minimum amount of V006-9784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-9784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-9784
  • 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 V006-9784 available by request