C799-0520 Screening compound: 2-methyl-N-(3-{[1-(thiophen-2-yl)butyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide

C799-0520 Screening compound: 2-methyl-N-(3-{[1-(thiophen-2-yl)butyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
C799-0520 Screening compound: 2-methyl-N-(3-{[1-(thiophen-2-yl)butyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0520
2-methyl-N-(3-{[1-(thiophen-2-yl)butyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-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

C799-0520

Molecular Formula

C21H24N2O3S2 (C21 H24 N2 O3 S2)

Compound Name

2-methyl-N-(3-{[1-(thiophen-2-yl)butyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide

IUPAC name

2-methyl-N-(3-{[1-(thiophen-2-yl)butyl]carbamoyl}phenyl)-56-dihydro-14-oxathiine-3-carboxamide

SMILES

CCCC(c1cccs1)NC(c1cccc(NC(C2=C(C)OCCS2)=O)c1)=O

InChI

InChI=1S/C21H24N2O3S2/c1-3-6-17(18-9-5-11-27-18)23-20(24)15-7-4-8-16(13-15)22-21(25)19-14(2)26-10-12-28-19/h4-5,7-9,11,13,17H,3,6,10,12H2,1-2H3,(H,22,25)(H,23,24)/t17-/m0/s1

InChI Key

PGXSDTCENRYAQR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14799563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.518

Distribution Coefficient, logD

3.512

Water Solubility, LogSw

-3.62

Polar Surface Area

56.662

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C799-0520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0520?
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What is the minimum amount of C799-0520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0520
  • 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 C799-0520 available by request