C849-0846 Screening compound: [4-(4-chlorophenyl)piperazino](4H-thieno[3,2-c]thiochromen-2-yl)methanone

C849-0846 Screening compound: [4-(4-chlorophenyl)piperazino](4H-thieno[3,2-c]thiochromen-2-yl)methanone
C849-0846 Screening compound: [4-(4-chlorophenyl)piperazino](4H-thieno[3,2-c]thiochromen-2-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C849-0846
[4-(4-chlorophenyl)piperazino](4H-thieno[3,2-c]thiochromen-2-yl)methanone

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

C849-0846

Molecular Formula

C22H19ClN2OS2 (C22 H19 ClN2 OS2)

Compound Name

[4-(4-chlorophenyl)piperazino](4H-thieno[3,2-c]thiochromen-2-yl)methanone

IUPAC name

1-(4-chlorophenyl)-4-{4H-thieno[32-c]thiochromene-2-carbonyl}piperazine

SMILES

O=C(c1cc(CSc2c-3cccc2)c3s1)N(CC1)CCN1c(cc1)ccc1Cl

InChI

InChI=1S/C22H19ClN2OS2/c23-16-5-7-17(8-6-16)24-9-11-25(12-10-24)22(26)20-13-15-14-27-19-4-2-1-3-18(19)21(15)28-20/h1-8,13H,9-12,14H2

InChI Key

BOYATWNRQMSVSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.99

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.519

Distribution Coefficient, logD

5.519

Water Solubility, LogSw

-6.02

Polar Surface Area

20.814

Acid Dissociation Constant (pKa)

25.02

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

References: we are preparing a list of scientific research reports with C849-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C849-0846?
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What is the minimum amount of C849-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C849-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C849-0846
  • 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 C849-0846 available by request