C583-0091 Screening compound: 2-METHYL-N-[4-METHYL-1-OXO-1-(4-PHENYLPIPERAZIN-1-YL)PENTAN-2-YL]-1,3-BENZOTHIAZOLE-6-SULFONAMIDE

C583-0091 Screening compound: 2-METHYL-N-[4-METHYL-1-OXO-1-(4-PHENYLPIPERAZIN-1-YL)PENTAN-2-YL]-1,3-BENZOTHIAZOLE-6-SULFONAMIDE
C583-0091 Screening compound: 2-METHYL-N-[4-METHYL-1-OXO-1-(4-PHENYLPIPERAZIN-1-YL)PENTAN-2-YL]-1,3-BENZOTHIAZOLE-6-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C583-0091
2-METHYL-N-[4-METHYL-1-OXO-1-(4-PHENYLPIPERAZIN-1-YL)PENTAN-2-YL]-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

C583-0091

Molecular Formula

C24H30N4O3S2 (C24 H30 N4 O3 S2)

Compound Name

2-METHYL-N-[4-METHYL-1-OXO-1-(4-PHENYLPIPERAZIN-1-YL)PENTAN-2-YL]-1,3-BENZOTHIAZOLE-6-SULFONAMIDE

IUPAC name

n/a

SMILES

CC(C)CC(C(N(CC1)CCN1c1ccccc1)=O)NS(c(cc1)cc2c1nc(C)s2)(=O)=O

InChI

InChI=1S/C24H30N4O3S2/c1-17(2)15-22(24(29)28-13-11-27(12-14-28)19-7-5-4-6-8-19)26-33(30,31)20-9-10-21-23(16-20)32-18(3)25-21/h4-10,16-17,22,26H,11-15H2,1-3H3/t22-/m0/s1

InChI Key

LFACYEDBNAMJRN-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14772916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.399

Distribution Coefficient, logD

4.399

Water Solubility, LogSw

-4.19

Polar Surface Area

71.548

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

C583-0091 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 C583-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C583-0091?
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What is the minimum amount of C583-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C583-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C583-0091
  • 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 C583-0091 available by request