V008-4144 Screening compound: N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,5,5-trimethylhexanamide

V008-4144 Screening compound: N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,5,5-trimethylhexanamide
V008-4144 Screening compound: N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,5,5-trimethylhexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4144
N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,5,5-trimethylhexanamide

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

V008-4144

Molecular Formula

C18H23BrFN3OS2 (C18 H23 BrFN3 OS2)

Compound Name

N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,5,5-trimethylhexanamide

IUPAC name

N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)-355-trimethylhexanamide

SMILES

CC(CC(C)(C)C)CC(Nc1nnc(SCc(ccc(Br)c2)c2F)s1)=O

InChI

InChI=1S/C18H23BrFN3OS2/c1-11(9-18(2,3)4)7-15(24)21-16-22-23-17(26-16)25-10-12-5-6-13(19)8-14(12)20/h5-6,8,11H,7,9-10H2,1-4H3,(H,21,22,24)/t11-/m1/s1

InChI Key

XZMUSEYIMGLSHJ-LLVKDONJSA-N

MDL Number (MFCD)

MFCD19857892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.750

Distribution Coefficient, logD

6.746

Water Solubility, LogSw

-5.57

Polar Surface Area

46.022

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

-4.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

V008-4144 in Drug Discovery

Included in Screening Libraries

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

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 V008-4144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4144?
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What is the minimum amount of V008-4144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4144
  • 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 V008-4144 available by request