V011-0592 Screening compound: N-{5-[(3-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-phenylbutanamide

V011-0592 Screening compound: N-{5-[(3-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-phenylbutanamide
V011-0592 Screening compound: N-{5-[(3-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-0592
N-{5-[(3-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-phenylbutanamide

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

V011-0592

Molecular Formula

C20H21N3O2S2 (C20 H21 N3 O2 S2)

Compound Name

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

IUPAC name

N-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)-2-phenylbutanamide

SMILES

CCC(C(Nc1nnc(SCc2cc(OC)ccc2)s1)=O)c1ccccc1

InChI

InChI=1S/C20H21N3O2S2/c1-3-17(15-9-5-4-6-10-15)18(24)21-19-22-23-20(27-19)26-13-14-8-7-11-16(12-14)25-2/h4-12,17H,3,13H2,1-2H3,(H,21,22,24)/t17-/m1/s1

InChI Key

WNRRQWQTCXWPDF-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD19857559

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

399.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.491

Distribution Coefficient, logD

5.474

Water Solubility, LogSw

-5.41

Polar Surface Area

53.508

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V011-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-0592?
Check Price and Availability of V011-0592, 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 V011-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-0592
  • 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 V011-0592 available by request