V010-8591 Screening compound: 4-(2-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-1,3-thiazole-4-carbonyl)thiomorpholine

V010-8591 Screening compound: 4-(2-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-1,3-thiazole-4-carbonyl)thiomorpholine
V010-8591 Screening compound: 4-(2-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-1,3-thiazole-4-carbonyl)thiomorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-8591
4-(2-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-1,3-thiazole-4-carbonyl)thiomorpholine

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

V010-8591

Molecular Formula

C21H18Cl2N2O2S2 (C21 H18 Cl2 N2 O2 S2)

Compound Name

4-(2-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-1,3-thiazole-4-carbonyl)thiomorpholine

IUPAC name

4-(2-{4-[(34-dichlorophenyl)methoxy]phenyl}-13-thiazole-4-carbonyl)thiomorpholine

SMILES

O=C(c1csc(-c(cc2)ccc2OCc(cc2)cc(Cl)c2Cl)n1)N1CCSCC1

InChI

InChI=1S/C21H18Cl2N2O2S2/c22-17-6-1-14(11-18(17)23)12-27-16-4-2-15(3-5-16)20-24-19(13-29-20)21(26)25-7-9-28-10-8-25/h1-6,11,13H,7-10,12H2

InChI Key

NTRLDFZULJKPSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19927661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.754

Distribution Coefficient, logD

5.754

Water Solubility, LogSw

-6.15

Polar Surface Area

33.848

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

-3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

V010-8591 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V010-8591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-8591?
Check Price and Availability of V010-8591, 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 V010-8591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-8591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-8591
  • 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 V010-8591 available by request