V003-3931 Screening compound: 2-{[(5-chlorothiophen-2-yl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole

V003-3931 Screening compound: 2-{[(5-chlorothiophen-2-yl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole
V003-3931 Screening compound: 2-{[(5-chlorothiophen-2-yl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3931
2-{[(5-chlorothiophen-2-yl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole

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

V003-3931

Molecular Formula

C21H26ClN3O4S3 (C21 H26 ClN3 O4 S3)

Compound Name

2-{[(5-chlorothiophen-2-yl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole

IUPAC name

2-{[(5-chlorothiophen-2-yl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(morpholine-4-sulfonyl)-1H-13-benzodiazole

SMILES

CCOCCCn1c(SCc(s2)ccc2Cl)nc2c1ccc(S(N1CCOCC1)(=O)=O)c2

InChI

InChI=1S/C21H26ClN3O4S3/c1-2-28-11-3-8-25-19-6-5-17(32(26,27)24-9-12-29-13-10-24)14-18(19)23-21(25)30-15-16-4-7-20(22)31-16/h4-7,14H,2-3,8-13,15H2,1H3

InChI Key

LTEUEYOLFDWTFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19958678

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

516.11

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.541

Distribution Coefficient, logD

4.538

Water Solubility, LogSw

-4.59

Polar Surface Area

59.343

Acid Dissociation Constant (pKa)

25.15

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with V003-3931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3931?
Check Price and Availability of V003-3931, 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 V003-3931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3931
  • 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 V003-3931 available by request