S740-1097 Screening compound: N~1~-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-cyclopentylacetamide

S740-1097 Screening compound: N~1~-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-cyclopentylacetamide
S740-1097 Screening compound: N~1~-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S740-1097
N~1~-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-2-cyclopentylacetamide

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

S740-1097

Molecular Formula

C18H31N3O5S (C18 H31 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COCCCN(C([C@H](C[C@@H](C1)NC(CC2CCCC2)=O)N1CC1)=O)S1(=O)=O

InChI

InChI=1S/C18H31N3O5S/c1-26-9-4-7-21-18(23)16-12-15(13-20(16)8-10-27(21,24)25)19-17(22)11-14-5-2-3-6-14/h14-16H,2-13H2,1H3,(H,19,22)/t15-,16-/m1/s1

InChI Key

JYEWUUSEHIOJEI-HZPDHXFCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.109

Distribution Coefficient, logD

-0.109

Water Solubility, LogSw

-1.65

Polar Surface Area

81.901

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

88.89

S740-1097 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with S740-1097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S740-1097?
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What is the minimum amount of S740-1097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S740-1097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S740-1097
  • 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 S740-1097 available by request