V002-8061 Screening compound: N-{5-[(3-phenoxypropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}heptanamide

V002-8061 Screening compound: N-{5-[(3-phenoxypropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}heptanamide
V002-8061 Screening compound: N-{5-[(3-phenoxypropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}heptanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-8061
N-{5-[(3-phenoxypropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}heptanamide

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

V002-8061

Molecular Formula

C18H25N3O2S2 (C18 H25 N3 O2 S2)

Compound Name

N-{5-[(3-phenoxypropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}heptanamide

IUPAC name

N-{5-[(3-phenoxypropyl)sulfanyl]-134-thiadiazol-2-yl}heptanamide

SMILES

CCCCCCC(Nc1nnc(SCCCOc2ccccc2)s1)=O

InChI

InChI=1S/C18H25N3O2S2/c1-2-3-4-8-12-16(22)19-17-20-21-18(25-17)24-14-9-13-23-15-10-6-5-7-11-15/h5-7,10-11H,2-4,8-9,12-14H2,1H3,(H,19,20,22)

InChI Key

XTGFEKFOQLXKGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.592

Distribution Coefficient, logD

5.587

Water Solubility, LogSw

-5.15

Polar Surface Area

53.440

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V002-8061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-8061?
Check Price and Availability of V002-8061, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V002-8061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-8061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-8061
  • 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 V002-8061 available by request