S740-1071 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]-1-cyclopropanecarboxamide

S740-1071 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]-1-cyclopropanecarboxamide
S740-1071 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]-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S740-1071
N~1~-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-cyclopropanecarboxamide

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

S740-1071

Molecular Formula

C15H25N3O5S (C15 H25 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]-1-cyclopropanecarboxamide

IUPAC name

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

SMILES

COCCCN(C([C@H](C[C@@H](C1)NC(C2CC2)=O)N1CC1)=O)S1(=O)=O

InChI

InChI=1S/C15H25N3O5S/c1-23-7-2-5-18-15(20)13-9-12(16-14(19)11-3-4-11)10-17(13)6-8-24(18,21)22/h11-13H,2-10H2,1H3,(H,16,19)/t12-,13-/m1/s1

InChI Key

FJFPPHOGFKJJDL-CHWSQXEVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

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

-1.104

Distribution Coefficient, logD

-1.104

Water Solubility, LogSw

-1.46

Polar Surface Area

82.079

Acid Dissociation Constant (pKa)

15.24

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

86.67

S740-1071 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S740-1071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S740-1071?
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What is the minimum amount of S740-1071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S740-1071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S740-1071
  • 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 S740-1071 available by request