V021-0351 Screening compound: ethyl 2-{[(2,4-dichloro-5-fluorophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-1H-1,3-benzodiazole-5-carboxylate

V021-0351 Screening compound: ethyl 2-{[(2,4-dichloro-5-fluorophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-1H-1,3-benzodiazole-5-carboxylate
V021-0351 Screening compound: ethyl 2-{[(2,4-dichloro-5-fluorophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-1H-1,3-benzodiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-0351
ethyl 2-{[(2,4-dichloro-5-fluorophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-1H-1,3-benzodiazole-5-carboxylate

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

V021-0351

Molecular Formula

C22H23Cl2FN2O3S (C22 H23 Cl2 FN2 O3 S)

Compound Name

ethyl 2-{[(2,4-dichloro-5-fluorophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-1H-1,3-benzodiazole-5-carboxylate

IUPAC name

ethyl 2-{[(24-dichloro-5-fluorophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-1H-13-benzodiazole-5-carboxylate

SMILES

CCOCCCn1c(SCc(c(Cl)c2)cc(F)c2Cl)nc2c1ccc(C(OCC)=O)c2

InChI

InChI=1S/C22H23Cl2FN2O3S/c1-3-29-9-5-8-27-20-7-6-14(21(28)30-4-2)11-19(20)26-22(27)31-13-15-10-18(25)17(24)12-16(15)23/h6-7,10-12H,3-5,8-9,13H2,1-2H3

InChI Key

ITFPAYCIMZBSOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964190

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

485.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.809

Distribution Coefficient, logD

6.808

Water Solubility, LogSw

-6.45

Polar Surface Area

39.458

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

V021-0351 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V021-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-0351?
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What is the minimum amount of V021-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-0351
  • 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 V021-0351 available by request