V021-4544 Screening compound: 4-(2-{2-[(2,4-dichlorophenyl)methoxy]phenyl}-1,3-thiazole-4-carbonyl)thiomorpholine

V021-4544 Screening compound: 4-(2-{2-[(2,4-dichlorophenyl)methoxy]phenyl}-1,3-thiazole-4-carbonyl)thiomorpholine
V021-4544 Screening compound: 4-(2-{2-[(2,4-dichlorophenyl)methoxy]phenyl}-1,3-thiazole-4-carbonyl)thiomorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-4544
4-(2-{2-[(2,4-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

V021-4544

Molecular Formula

C21H18Cl2N2O2S2 (C21 H18 Cl2 N2 O2 S2)

Compound Name

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

IUPAC name

4-(2-{2-[(24-dichlorophenyl)methoxy]phenyl}-13-thiazole-4-carbonyl)thiomorpholine

SMILES

O=C(c1csc(-c(cccc2)c2OCc(ccc(Cl)c2)c2Cl)n1)N1CCSCC1

InChI

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

InChI Key

LSBYVUOMSFREMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19928009

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

5.634

Distribution Coefficient, logD

5.634

Water Solubility, LogSw

-5.90

Polar Surface Area

33.935

Acid Dissociation Constant (pKa)

28.48

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

V021-4544 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-4544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-4544?
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What is the minimum amount of V021-4544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-4544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-4544
  • 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 V021-4544 available by request