V028-6591 Screening compound: N-{5-[(2-methylprop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylpropanamide

V028-6591 Screening compound: N-{5-[(2-methylprop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylpropanamide
V028-6591 Screening compound: N-{5-[(2-methylprop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-6591
N-{5-[(2-methylprop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylpropanamide

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

V028-6591

Molecular Formula

C15H17N3OS2 (C15 H17 N3 OS2)

Compound Name

N-{5-[(2-methylprop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylpropanamide

IUPAC name

N-{5-[(2-methylprop-2-en-1-yl)sulfanyl]-134-thiadiazol-2-yl}-3-phenylpropanamide

SMILES

CC(CSc1nnc(NC(CCc2ccccc2)=O)s1)=C

InChI

InChI=1S/C15H17N3OS2/c1-11(2)10-20-15-18-17-14(21-15)16-13(19)9-8-12-6-4-3-5-7-12/h3-7H,1,8-10H2,2H3,(H,16,17,19)

InChI Key

YFHSNHQCQZDDQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857692

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

319.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.442

Distribution Coefficient, logD

4.436

Water Solubility, LogSw

-4.32

Polar Surface Area

46.022

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with V028-6591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-6591?
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What is the minimum amount of V028-6591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-6591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-6591
  • 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 V028-6591 available by request