S740-1295 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-methoxyacetamide

S740-1295 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-methoxyacetamide
S740-1295 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-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S740-1295
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-methoxyacetamide

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

S740-1295

Molecular Formula

C14H25N3O6S (C14 H25 N3 O6 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-methoxyacetamide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C14H25N3O6S/c1-22-6-3-4-17-14(19)12-8-11(15-13(18)10-23-2)9-16(12)5-7-24(17,20)21/h11-12H,3-10H2,1-2H3,(H,15,18)/t11-,12-/m1/s1

InChI Key

SMZWZCSIUABLHG-VXGBXAGGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-2.221

Distribution Coefficient, logD

-2.221

Water Solubility, LogSw

-1.42

Polar Surface Area

90.038

Acid Dissociation Constant (pKa)

15.29

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

85.71

References: we are preparing a list of scientific research reports with S740-1295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S740-1295?
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What is the minimum amount of S740-1295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S740-1295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S740-1295
  • 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 S740-1295 available by request