S740-1080 Screening compound: N~4~-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-methyl-1H-imidazole-4-sulfonamide

S740-1080 Screening compound: N~4~-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-methyl-1H-imidazole-4-sulfonamide
S740-1080 Screening compound: N~4~-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-methyl-1H-imidazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S740-1080
N~4~-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-methyl-1H-imidazole-4-sulfonamide

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

S740-1080

Molecular Formula

C15H25N5O6S2 (C15 H25 N5 O6 S2)

Compound Name

N~4~-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-methyl-1H-imidazole-4-sulfonamide

IUPAC name

N-[(8S9aS)-2-(3-methoxypropyl)-133-trioxo-octahydro-3lambda6-pyrrolo[21-d][125]thiadiazepin-8-yl]-1-methyl-1H-imidazole-4-sulfonamide

SMILES

Cn1cnc(S(N[C@@H](C2)CN(CCS(N3CCCOC)(=O)=O)[C@@H]2C3=O)(=O)=O)c1

InChI

InChI=1S/C15H25N5O6S2/c1-18-10-14(16-11-18)28(24,25)17-12-8-13-15(21)20(4-3-6-26-2)27(22,23)7-5-19(13)9-12/h10-13,17H,3-9H2,1-2H3/t12-,13-/m1/s1

InChI Key

LCTMRISIJVNKPA-CHWSQXEVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.53

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-2.181

Distribution Coefficient, logD

-2.181

Water Solubility, LogSw

-1.74

Polar Surface Area

111.525

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

73.33

S740-1080 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with S740-1080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S740-1080?
Check Price and Availability of S740-1080, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S740-1080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S740-1080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S740-1080
  • 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 S740-1080 available by request