V008-0213 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole

V008-0213 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole
V008-0213 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0213
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-[3-(morpholin-4-yl)propyl]-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

V008-0213

Molecular Formula

C25H30ClFN4O4S2 (C25 H30 ClFN4 O4 S2)

Compound Name

2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole

IUPAC name

2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-[3-(morpholin-4-yl)propyl]-5-(morpholine-4-sulfonyl)-1H-13-benzodiazole

SMILES

O=S(c(cc1)cc2c1n(CCCN1CCOCC1)c(SCc(c(F)ccc1)c1Cl)n2)(N1CCOCC1)=O

InChI

InChI=1S/C25H30ClFN4O4S2/c26-21-3-1-4-22(27)20(21)18-36-25-28-23-17-19(37(32,33)30-11-15-35-16-12-30)5-6-24(23)31(25)8-2-7-29-9-13-34-14-10-29/h1,3-6,17H,2,7-16,18H2

InChI Key

HPDLFCBMUGSBAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19958433

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

569.12

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

4.016

Distribution Coefficient, logD

3.871

Water Solubility, LogSw

-4.31

Polar Surface Area

61.966

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

V008-0213 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V008-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0213?
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What is the minimum amount of V008-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0213
  • 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 V008-0213 available by request