V018-1354 Screening compound: 2-{[2-(4-chlorophenoxy)acetyl]amino}-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

V018-1354 Screening compound: 2-{[2-(4-chlorophenoxy)acetyl]amino}-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
V018-1354 Screening compound: 2-{[2-(4-chlorophenoxy)acetyl]amino}-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-1354
2-{[2-(4-chlorophenoxy)acetyl]amino}-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

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

V018-1354

Molecular Formula

C26H23ClN4O4S (C26 H23 ClN4 O4 S)

Compound Name

2-{[2-(4-chlorophenoxy)acetyl]amino}-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

IUPAC name

2-[2-(4-chlorophenoxy)acetamido]-N-[5-(3-methoxyphenyl)-134-thiadiazol-2-yl]-3-phenylpropanamide

SMILES

COc1cccc(-c2nnc(NC(C(Cc3ccccc3)NC(COc(cc3)ccc3Cl)=O)=O)s2)c1

InChI

InChI=1S/C26H23ClN4O4S/c1-34-21-9-5-8-18(15-21)25-30-31-26(36-25)29-24(33)22(14-17-6-3-2-4-7-17)28-23(32)16-35-20-12-10-19(27)11-13-20/h2-13,15,22H,14,16H2,1H3,(H,28,32)(H,29,31,33)/t22-/m0/s1

InChI Key

WXGKCPHMYXUPFX-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14241986

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

523.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.428

Distribution Coefficient, logD

5.427

Water Solubility, LogSw

-5.98

Polar Surface Area

85.476

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.38

V018-1354 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V018-1354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-1354?
Check Price and Availability of V018-1354, 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 V018-1354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-1354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-1354
  • 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 V018-1354 available by request