S740-1189 Screening compound: N~4~-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3,5-dimethyl-4-isoxazolesulfonamide

S740-1189 Screening compound: N~4~-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3,5-dimethyl-4-isoxazolesulfonamide
S740-1189 Screening compound: N~4~-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3,5-dimethyl-4-isoxazolesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S740-1189
N~4~-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3,5-dimethyl-4-isoxazolesulfonamide

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

S740-1189

Molecular Formula

C15H22N4O6S2 (C15 H22 N4 O6 S2)

Compound Name

N~4~-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3,5-dimethyl-4-isoxazolesulfonamide

IUPAC name

N-[(8S9aS)-2-cyclopropyl-133-trioxo-octahydro-3lambda6-pyrrolo[21-d][125]thiadiazepin-8-yl]-35-dimethyl-12-oxazole-4-sulfonamide

SMILES

Cc1noc(C)c1S(N[C@@H](C1)CN(CCS(N2C3CC3)(=O)=O)[C@@H]1C2=O)(=O)=O

InChI

InChI=1S/C15H22N4O6S2/c1-9-14(10(2)25-16-9)27(23,24)17-11-7-13-15(20)19(12-3-4-12)26(21,22)6-5-18(13)8-11/h11-13,17H,3-8H2,1-2H3/t11-,13-/m1/s1

InChI Key

SIYUETSZLCMGCZ-DGCLKSJQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.827

Distribution Coefficient, logD

-0.830

Water Solubility, LogSw

-1.57

Polar Surface Area

112.508

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

73.33

S740-1189 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S740-1189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S740-1189?
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What is the minimum amount of S740-1189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S740-1189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S740-1189
  • 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 S740-1189 available by request