C795-1038 Screening compound: 4-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-oxobutanamide

C795-1038 Screening compound: 4-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-oxobutanamide
C795-1038 Screening compound: 4-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-1038
4-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-oxobutanamide

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

C795-1038

Molecular Formula

C22H33N3O2S (C22 H33 N3 O2 S)

Compound Name

4-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-oxobutanamide

IUPAC name

4-(34-dihydro-2H-14-benzothiazin-4-yl)-N-[3-(35-dimethylpiperidin-1-yl)propyl]-4-oxobutanamide

SMILES

CC1CN(CCCNC(CCC(N2c(cccc3)c3SCC2)=O)=O)CC(C)C1

InChI

InChI=1S/C22H33N3O2S/c1-17-14-18(2)16-24(15-17)11-5-10-23-21(26)8-9-22(27)25-12-13-28-20-7-4-3-6-19(20)25/h3-4,6-7,17-18H,5,8-16H2,1-2H3,(H,23,26)

InChI Key

IVEKUGRBNBVFPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.448

Distribution Coefficient, logD

-0.157

Water Solubility, LogSw

-2.69

Polar Surface Area

43.186

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.60

C795-1038 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C795-1038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-1038?
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What is the minimum amount of C795-1038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-1038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-1038
  • 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 C795-1038 available by request