C200-2158 Screening compound: 2-{3-[4-(4-nitrophenyl)piperazine-1-carbonyl]piperidin-1-yl}-4H-thieno[3,2-d][1,3]thiazin-4-one

C200-2158 Screening compound: 2-{3-[4-(4-nitrophenyl)piperazine-1-carbonyl]piperidin-1-yl}-4H-thieno[3,2-d][1,3]thiazin-4-one
C200-2158 Screening compound: 2-{3-[4-(4-nitrophenyl)piperazine-1-carbonyl]piperidin-1-yl}-4H-thieno[3,2-d][1,3]thiazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2158
2-{3-[4-(4-nitrophenyl)piperazine-1-carbonyl]piperidin-1-yl}-4H-thieno[3,2-d][1,3]thiazin-4-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

C200-2158

Molecular Formula

C22H23N5O4S2 (C22 H23 N5 O4 S2)

Compound Name

2-{3-[4-(4-nitrophenyl)piperazine-1-carbonyl]piperidin-1-yl}-4H-thieno[3,2-d][1,3]thiazin-4-one

IUPAC name

2-{3-[4-(4-nitrophenyl)piperazine-1-carbonyl]piperidin-1-yl}-4H-thieno[32-d][13]thiazin-4-one

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1C(C(CCC1)CN1C(SC1=O)=Nc2c1scc2)=O)=O

InChI

InChI=1S/C22H23N5O4S2/c28-20(25-11-9-24(10-12-25)16-3-5-17(6-4-16)27(30)31)15-2-1-8-26(14-15)22-23-18-7-13-32-19(18)21(29)33-22/h3-7,13,15H,1-2,8-12,14H2/t15-/m0/s1

InChI Key

WQGYWEIANVZBMM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14726396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.603

Distribution Coefficient, logD

3.603

Water Solubility, LogSw

-3.68

Polar Surface Area

79.022

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

C200-2158 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-2158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2158?
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What is the minimum amount of C200-2158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2158
  • 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 C200-2158 available by request