C493-1377 Screening compound: N-{3-[butyl(phenyl)amino]propyl}-2-{4-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide

C493-1377 Screening compound: N-{3-[butyl(phenyl)amino]propyl}-2-{4-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide
C493-1377 Screening compound: N-{3-[butyl(phenyl)amino]propyl}-2-{4-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C493-1377
N-{3-[butyl(phenyl)amino]propyl}-2-{4-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide

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

C493-1377

Molecular Formula

C31H35ClFN3O2S (C31 H35 ClFN3 O2 S)

Compound Name

N-{3-[butyl(phenyl)amino]propyl}-2-{4-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide

IUPAC name

N-{3-[butyl(phenyl)amino]propyl}-2-{4-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-yl}propanamide

SMILES

CCCCN(CCCNC(C(C)C1Sc(cccc2)c2N(Cc(ccc(F)c2)c2Cl)C1=O)=O)c1ccccc1

InChI

InChI=1S/C31H35ClFN3O2S/c1-3-4-18-35(25-11-6-5-7-12-25)19-10-17-34-30(37)22(2)29-31(38)36(27-13-8-9-14-28(27)39-29)21-23-15-16-24(33)20-26(23)32/h5-9,11-16,20,22,29H,3-4,10,17-19,21H2,1-2H3,(H,34,37)

InChI Key

BTFRNSIBNGKDBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.16

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.842

Distribution Coefficient, logD

6.813

Water Solubility, LogSw

-6.22

Polar Surface Area

42.839

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.50

C493-1377 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C493-1377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C493-1377?
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What is the minimum amount of C493-1377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C493-1377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C493-1377
  • 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 C493-1377 available by request