V003-3943 Screening compound: 1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-2-{[(2,3,4,5-tetrafluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

V003-3943 Screening compound: 1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-2-{[(2,3,4,5-tetrafluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
V003-3943 Screening compound: 1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-2-{[(2,3,4,5-tetrafluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3943
1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-2-{[(2,3,4,5-tetrafluorophenyl)methyl]sulfanyl}-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

V003-3943

Molecular Formula

C25H28F4N4O4S2 (C25 H28 F4 N4 O4 S2)

Compound Name

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

IUPAC name

1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-2-{[(2345-tetrafluorophenyl)methyl]sulfanyl}-1H-13-benzodiazole

SMILES

O=S(c(cc1)cc2c1n(CCCN1CCOCC1)c(SCc(cc(c(F)c1F)F)c1F)n2)(N1CCOCC1)=O

InChI

InChI=1S/C25H28F4N4O4S2/c26-19-14-17(22(27)24(29)23(19)28)16-38-25-30-20-15-18(39(34,35)32-8-12-37-13-9-32)2-3-21(20)33(25)5-1-4-31-6-10-36-11-7-31/h2-3,14-15H,1,4-13,16H2

InChI Key

KXIOEMOQJISMSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960113

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

588.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.078

Distribution Coefficient, logD

3.933

Water Solubility, LogSw

-4.19

Polar Surface Area

61.966

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with V003-3943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3943?
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What is the minimum amount of V003-3943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3943
  • 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 V003-3943 available by request