S740-1333 Screening compound: N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-N'-methylurea

S740-1333 Screening compound: N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-N'-methylurea
S740-1333 Screening compound: N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-N'-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound S740-1333
N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-N'-methylurea

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

S740-1333

Molecular Formula

C13H24N4O5S (C13 H24 N4 O5 S)

Compound Name

N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-N'-methylurea

IUPAC name

1-[(8S9aS)-2-(3-methoxypropyl)-133-trioxo-octahydro-3lambda6-pyrrolo[21-d][125]thiadiazepin-8-yl]-3-methylurea

SMILES

CNC(N[C@@H](C1)CN(CCS(N2CCCOC)(=O)=O)[C@@H]1C2=O)=O

InChI

InChI=1S/C13H24N4O5S/c1-14-13(19)15-10-8-11-12(18)17(4-3-6-22-2)23(20,21)7-5-16(11)9-10/h10-11H,3-9H2,1-2H3,(H2,14,15,19)/t10-,11-/m1/s1

InChI Key

RJBDWIRUQCSIFM-GHMZBOCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-2.076

Distribution Coefficient, logD

-2.084

Water Solubility, LogSw

-1.42

Polar Surface Area

92.512

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

84.61

References: we are preparing a list of scientific research reports with S740-1333 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S740-1333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S740-1333
  • 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 S740-1333 available by request