S740-1320 Screening compound: N~5~-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1,3-oxazole-5-carboxamide

S740-1320 Screening compound: N~5~-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1,3-oxazole-5-carboxamide
S740-1320 Screening compound: N~5~-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1,3-oxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S740-1320
N~5~-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1,3-oxazole-5-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

S740-1320

Molecular Formula

C15H22N4O6S (C15 H22 N4 O6 S)

Compound Name

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

IUPAC name

N-[(8S9aS)-2-(3-methoxypropyl)-133-trioxo-octahydro-3lambda6-pyrrolo[21-d][125]thiadiazepin-8-yl]-13-oxazole-5-carboxamide

SMILES

COCCCN(C([C@H](C[C@@H](C1)NC(c2cnco2)=O)N1CC1)=O)S1(=O)=O

InChI

InChI=1S/C15H22N4O6S/c1-24-5-2-3-19-15(21)12-7-11(9-18(12)4-6-26(19,22)23)17-14(20)13-8-16-10-25-13/h8,10-12H,2-7,9H2,1H3,(H,17,20)/t11-,12-/m1/s1

InChI Key

RMHZWWKHIHLEJS-VXGBXAGGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-2.037

Distribution Coefficient, logD

-2.037

Water Solubility, LogSw

-1.45

Polar Surface Area

100.130

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

S740-1320 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 S740-1320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S740-1320?
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What is the minimum amount of S740-1320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S740-1320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S740-1320
  • 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 S740-1320 available by request