V009-5955 Screening compound: ethyl 2-{[5-(3,3-dimethylbutanamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate

V009-5955 Screening compound: ethyl 2-{[5-(3,3-dimethylbutanamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate
V009-5955 Screening compound: ethyl 2-{[5-(3,3-dimethylbutanamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5955
ethyl 2-{[5-(3,3-dimethylbutanamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate

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

V009-5955

Molecular Formula

C12H19N3O3S2 (C12 H19 N3 O3 S2)

Compound Name

ethyl 2-{[5-(3,3-dimethylbutanamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[5-(33-dimethylbutanamido)-134-thiadiazol-2-yl]sulfanyl}acetate

SMILES

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

InChI

InChI=1S/C12H19N3O3S2/c1-5-18-9(17)7-19-11-15-14-10(20-11)13-8(16)6-12(2,3)4/h5-7H2,1-4H3,(H,13,14,16)

InChI Key

DRZQMBNIFAICBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10456787

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

317.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.231

Distribution Coefficient, logD

3.225

Water Solubility, LogSw

-3.24

Polar Surface Area

66.452

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with V009-5955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5955?
Check Price and Availability of V009-5955, 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 V009-5955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5955
  • 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 V009-5955 available by request