C444-0040 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-cycloheptylpiperidine-3-carboxamide

C444-0040 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-cycloheptylpiperidine-3-carboxamide
C444-0040 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-cycloheptylpiperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-0040
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-cycloheptylpiperidine-3-carboxamide

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

C444-0040

Molecular Formula

C19H26N4O3S2 (C19 H26 N4 O3 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-cycloheptylpiperidine-3-carboxamide

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-cycloheptylpiperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1S(c1cccc2nsnc12)(=O)=O)NC1CCCCCC1

InChI

InChI=1S/C19H26N4O3S2/c24-19(20-15-8-3-1-2-4-9-15)14-7-6-12-23(13-14)28(25,26)17-11-5-10-16-18(17)22-27-21-16/h5,10-11,14-15H,1-4,6-9,12-13H2,(H,20,24)/t14-/m0/s1

InChI Key

YVGMTUYGDMKQPF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD08744276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.217

Distribution Coefficient, logD

3.217

Water Solubility, LogSw

-3.43

Polar Surface Area

77.305

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.20

C444-0040 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 C444-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-0040?
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What is the minimum amount of C444-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-0040
  • 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 C444-0040 available by request