V002-1339 Screening compound: 3,5,5-trimethyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]hexanamide

V002-1339 Screening compound: 3,5,5-trimethyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]hexanamide
V002-1339 Screening compound: 3,5,5-trimethyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1339
3,5,5-trimethyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]hexanamide

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

V002-1339

Molecular Formula

C19H24F3N3OS2 (C19 H24 F3 N3 OS2)

Compound Name

3,5,5-trimethyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]hexanamide

IUPAC name

355-trimethyl-N-[5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-134-thiadiazol-2-yl]hexanamide

SMILES

CC(CC(C)(C)C)CC(Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)=O

InChI

InChI=1S/C19H24F3N3OS2/c1-12(10-18(2,3)4)9-15(26)23-16-24-25-17(28-16)27-11-13-5-7-14(8-6-13)19(20,21)22/h5-8,12H,9-11H2,1-4H3,(H,23,24,26)/t12-/m1/s1

InChI Key

HLGXTINHPDAUBB-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD19857383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.254

Distribution Coefficient, logD

6.251

Water Solubility, LogSw

-5.52

Polar Surface Area

46.022

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

-4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.60

V002-1339 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V002-1339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1339?
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What is the minimum amount of V002-1339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1339
  • 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 V002-1339 available by request