V021-1750 Screening compound: ethyl 1-(3-ethoxypropyl)-2-[({[(thiophen-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-1,3-benzodiazole-5-carboxylate

V021-1750 Screening compound: ethyl 1-(3-ethoxypropyl)-2-[({[(thiophen-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-1,3-benzodiazole-5-carboxylate
V021-1750 Screening compound: ethyl 1-(3-ethoxypropyl)-2-[({[(thiophen-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-1,3-benzodiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1750
ethyl 1-(3-ethoxypropyl)-2-[({[(thiophen-2-yl)methyl]carbamoyl}methyl)sulfanyl]-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

V021-1750

Molecular Formula

C22H27N3O4S2 (C22 H27 N3 O4 S2)

Compound Name

ethyl 1-(3-ethoxypropyl)-2-[({[(thiophen-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-1,3-benzodiazole-5-carboxylate

IUPAC name

ethyl 1-(3-ethoxypropyl)-2-[({[(thiophen-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-13-benzodiazole-5-carboxylate

SMILES

CCOCCCn1c(SCC(NCc2cccs2)=O)nc2c1ccc(C(OCC)=O)c2

InChI

InChI=1S/C22H27N3O4S2/c1-3-28-11-6-10-25-19-9-8-16(21(27)29-4-2)13-18(19)24-22(25)31-15-20(26)23-14-17-7-5-12-30-17/h5,7-9,12-13H,3-4,6,10-11,14-15H2,1-2H3,(H,23,26)

InChI Key

CQMMCGUNFXHRIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964618

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

461.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.382

Distribution Coefficient, logD

4.382

Water Solubility, LogSw

-4.14

Polar Surface Area

64.948

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

V021-1750 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 V021-1750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1750?
Check Price and Availability of V021-1750, 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 V021-1750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1750
  • 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 V021-1750 available by request