C646-0208 Screening compound: N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-methyl-1,3-benzothiazole-6-sulfonamide

C646-0208 Screening compound: N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-methyl-1,3-benzothiazole-6-sulfonamide
C646-0208 Screening compound: N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-methyl-1,3-benzothiazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C646-0208
N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-methyl-1,3-benzothiazole-6-sulfonamide

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

C646-0208

Molecular Formula

C24H30N4O4S2 (C24 H30 N4 O4 S2)

Compound Name

N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-methyl-1,3-benzothiazole-6-sulfonamide

IUPAC name

N-{1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-methyl-13-benzothiazole-6-sulfonamide

SMILES

CC(C)C(C(N(CC1)CCN1c(cc1)ccc1OC)=O)NS(c(cc1)cc2c1nc(C)s2)(=O)=O

InChI

InChI=1S/C24H30N4O4S2/c1-16(2)23(26-34(30,31)20-9-10-21-22(15-20)33-17(3)25-21)24(29)28-13-11-27(12-14-28)18-5-7-19(32-4)8-6-18/h5-10,15-16,23,26H,11-14H2,1-4H3/t23-/m0/s1

InChI Key

HSPJAEUOHYDFKX-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14778969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.941

Distribution Coefficient, logD

3.940

Water Solubility, LogSw

-4.12

Polar Surface Area

78.813

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

C646-0208 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C646-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C646-0208?
Check Price and Availability of C646-0208, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C646-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C646-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C646-0208
  • 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 C646-0208 available by request