3448-7808 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(cyclohex-3-en-1-yl)-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile

3448-7808 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(cyclohex-3-en-1-yl)-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile
3448-7808 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(cyclohex-3-en-1-yl)-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-7808
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(cyclohex-3-en-1-yl)-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile

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

3448-7808

Molecular Formula

C23H21ClN2OS (C23 H21 ClN2 OS)

Compound Name

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(cyclohex-3-en-1-yl)-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile

IUPAC name

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(cyclohex-3-en-1-yl)-5H6H7H-cyclopenta[b]pyridine-3-carbonitrile

SMILES

N#Cc1c(C2CC=CCC2)c(CCC2)c2nc1SCC(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C23H21ClN2OS/c24-17-11-9-15(10-12-17)21(27)14-28-23-19(13-25)22(16-5-2-1-3-6-16)18-7-4-8-20(18)26-23/h1-2,9-12,16H,3-8,14H2/t16-/m1/s1

InChI Key

DVKJGVXAUTXLCI-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02047841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.330

Distribution Coefficient, logD

6.330

Water Solubility, LogSw

-6.59

Polar Surface Area

40.725

Acid Dissociation Constant (pKa)

18.20

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

3448-7808 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3448-7808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-7808?
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What is the minimum amount of 3448-7808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-7808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-7808
  • 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 3448-7808 available by request