V013-7050 Screening compound: N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(2-phenoxy-N-propylacetamido)propanamide

V013-7050 Screening compound: N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(2-phenoxy-N-propylacetamido)propanamide
V013-7050 Screening compound: N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(2-phenoxy-N-propylacetamido)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-7050
N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(2-phenoxy-N-propylacetamido)propanamide

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

V013-7050

Molecular Formula

C23H26N4O4S (C23 H26 N4 O4 S)

Compound Name

N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(2-phenoxy-N-propylacetamido)propanamide

IUPAC name

N-[5-(3-methoxyphenyl)-134-thiadiazol-2-yl]-3-(2-phenoxy-N-propylacetamido)propanamide

SMILES

CCCN(CCC(Nc1nnc(-c2cc(OC)ccc2)s1)=O)C(COc1ccccc1)=O

InChI

InChI=1S/C23H26N4O4S/c1-3-13-27(21(29)16-31-18-9-5-4-6-10-18)14-12-20(28)24-23-26-25-22(32-23)17-8-7-11-19(15-17)30-2/h4-11,15H,3,12-14,16H2,1-2H3,(H,24,26,28)

InChI Key

KUPOCMPGSDUSRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19715274

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.561

Distribution Coefficient, logD

3.560

Water Solubility, LogSw

-3.81

Polar Surface Area

77.344

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

V013-7050 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V013-7050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-7050?
Check Price and Availability of V013-7050, 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 V013-7050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-7050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-7050
  • 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 V013-7050 available by request