C849-0761 Screening compound: [3-methyl-4-(4-methylphenyl)piperazino](4H-thieno[3,2-c]thiochromen-2-yl)methanone

C849-0761 Screening compound: [3-methyl-4-(4-methylphenyl)piperazino](4H-thieno[3,2-c]thiochromen-2-yl)methanone
C849-0761 Screening compound: [3-methyl-4-(4-methylphenyl)piperazino](4H-thieno[3,2-c]thiochromen-2-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C849-0761
[3-methyl-4-(4-methylphenyl)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

C849-0761

Molecular Formula

C24H24N2OS2 (C24 H24 N2 OS2)

Compound Name

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

IUPAC name

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

SMILES

CC(CN(CC1)C(c2cc(CSc3c-4cccc3)c4s2)=O)N1c1ccc(C)cc1

InChI

InChI=1S/C24H24N2OS2/c1-16-7-9-19(10-8-16)26-12-11-25(14-17(26)2)24(27)22-13-18-15-28-21-6-4-3-5-20(21)23(18)29-22/h3-10,13,17H,11-12,14-15H2,1-2H3/t17-/m0/s1

InChI Key

JQWLDVADKBWKSS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14800403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.6

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

5.541

Distribution Coefficient, logD

5.541

Water Solubility, LogSw

-5.39

Polar Surface Area

20.033

Acid Dissociation Constant (pKa)

25.02

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.17

References: we are preparing a list of scientific research reports with C849-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C849-0761?
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What is the minimum amount of C849-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C849-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C849-0761
  • 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 C849-0761 available by request