V009-9211 Screening compound: N-(5-{[(2-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide

V009-9211 Screening compound: N-(5-{[(2-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide
V009-9211 Screening compound: N-(5-{[(2-cyanophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-9211
N-(5-{[(2-cyanophenyl)methyl]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

V009-9211

Molecular Formula

C17H20N4OS2 (C17 H20 N4 OS2)

Compound Name

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

IUPAC name

N-(5-{[(2-cyanophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)heptanamide

SMILES

CCCCCCC(Nc1nnc(SCc(cccc2)c2C#N)s1)=O

InChI

InChI=1S/C17H20N4OS2/c1-2-3-4-5-10-15(22)19-16-20-21-17(24-16)23-12-14-9-7-6-8-13(14)11-18/h6-9H,2-5,10,12H2,1H3,(H,19,20,22)

InChI Key

KAPRDBWIDZUFPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.931

Distribution Coefficient, logD

4.929

Water Solubility, LogSw

-4.60

Polar Surface Area

63.078

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with V009-9211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-9211?
Check Price and Availability of V009-9211, 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 V009-9211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-9211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-9211
  • 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 V009-9211 available by request