V001-5202 Screening compound: 3-(2,4-difluorophenoxy)-8-(4-{[(5-nitropyridin-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octane

V001-5202 Screening compound: 3-(2,4-difluorophenoxy)-8-(4-{[(5-nitropyridin-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octane
V001-5202 Screening compound: 3-(2,4-difluorophenoxy)-8-(4-{[(5-nitropyridin-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-5202
3-(2,4-difluorophenoxy)-8-(4-{[(5-nitropyridin-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octane

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

V001-5202

Molecular Formula

C26H23F2N3O4S (C26 H23 F2 N3 O4 S)

Compound Name

3-(2,4-difluorophenoxy)-8-(4-{[(5-nitropyridin-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octane

IUPAC name

3-(24-difluorophenoxy)-8-(4-{[(5-nitropyridin-2-yl)sulfanyl]methyl}benzoyl)-8-azabicyclo[3.2.1]octane

SMILES

[O-][N+](c(cc1)cnc1SCc(cc1)ccc1C(N(C(CC1)C2)C1CC2Oc(ccc(F)c1)c1F)=O)=O

InChI

InChI=1S/C26H23F2N3O4S/c27-18-5-9-24(23(28)11-18)35-22-12-19-6-7-20(13-22)30(19)26(32)17-3-1-16(2-4-17)15-36-25-10-8-21(14-29-25)31(33)34/h1-5,8-11,14,19-20,22H,6-7,12-13,15H2

InChI Key

MVKCDBSBOOKDRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945490

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

511.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.257

Distribution Coefficient, logD

3.257

Water Solubility, LogSw

-3.40

Polar Surface Area

63.715

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V001-5202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-5202?
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What is the minimum amount of V001-5202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-5202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-5202
  • 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 V001-5202 available by request