V004-0811 Screening compound: N-(5-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide

V004-0811 Screening compound: N-(5-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide
V004-0811 Screening compound: N-(5-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0811
N-(5-{[(3,5-dimethoxyphenyl)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

V004-0811

Molecular Formula

C18H25N3O3S2 (C18 H25 N3 O3 S2)

Compound Name

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

IUPAC name

N-(5-{[(35-dimethoxyphenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)heptanamide

SMILES

CCCCCCC(Nc1nnc(SCc2cc(OC)cc(OC)c2)s1)=O

InChI

InChI=1S/C18H25N3O3S2/c1-4-5-6-7-8-16(22)19-17-20-21-18(26-17)25-12-13-9-14(23-2)11-15(10-13)24-3/h9-11H,4-8,12H2,1-3H3,(H,19,20,22)

InChI Key

ZHWNUJICLABRAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.254

Distribution Coefficient, logD

5.251

Water Solubility, LogSw

-4.91

Polar Surface Area

61.110

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V004-0811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0811?
Check Price and Availability of V004-0811, 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 V004-0811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0811
  • 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 V004-0811 available by request