S740-0210 Screening compound: N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-5-methyl-2-thiophenecarboxamide

S740-0210 Screening compound: N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-5-methyl-2-thiophenecarboxamide
S740-0210 Screening compound: N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-5-methyl-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S740-0210
N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-5-methyl-2-thiophenecarboxamide

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

S740-0210

Molecular Formula

C17H25N3O5S2 (C17 H25 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(N[C@@H](C2)CN(CCS(N3CCCOC)(=O)=O)[C@@H]2C3=O)=O)s1

InChI

InChI=1S/C17H25N3O5S2/c1-12-4-5-15(26-12)16(21)18-13-10-14-17(22)20(6-3-8-25-2)27(23,24)9-7-19(14)11-13/h4-5,13-14H,3,6-11H2,1-2H3,(H,18,21)/t13-,14-/m1/s1

InChI Key

OFRNUBCUKCSNRX-ZIAGYGMSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.225

Distribution Coefficient, logD

0.225

Water Solubility, LogSw

-2.20

Polar Surface Area

82.574

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.71

S740-0210 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 S740-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S740-0210?
Check Price and Availability of S740-0210, 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 S740-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S740-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S740-0210
  • 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 S740-0210 available by request