D510-2004 Screening compound: 1-(2-methylpiperidin-1-yl)-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}ethan-1-one

D510-2004 Screening compound: 1-(2-methylpiperidin-1-yl)-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}ethan-1-one
D510-2004 Screening compound: 1-(2-methylpiperidin-1-yl)-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D510-2004
1-(2-methylpiperidin-1-yl)-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}ethan-1-one

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

D510-2004

Molecular Formula

C23H27N3O2S (C23 H27 N3 O2 S)

Compound Name

1-(2-methylpiperidin-1-yl)-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}ethan-1-one

IUPAC name

1-(2-methylpiperidin-1-yl)-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-13-benzodiazol-1-yl}ethan-1-one

SMILES

CC(CCCC1)N1C(Cn1c(SCCOc2ccccc2)nc2c1cccc2)=O

InChI

InChI=1S/C23H27N3O2S/c1-18-9-7-8-14-25(18)22(27)17-26-21-13-6-5-12-20(21)24-23(26)29-16-15-28-19-10-3-2-4-11-19/h2-6,10-13,18H,7-9,14-17H2,1H3/t18-/m0/s1

InChI Key

CTADOPDSEXHTFN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD10044567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

4.518

Water Solubility, LogSw

-4.14

Polar Surface Area

33.573

Acid Dissociation Constant (pKa)

19.38

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with D510-2004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D510-2004?
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What is the minimum amount of D510-2004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D510-2004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D510-2004
  • 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 D510-2004 available by request