S740-1226 Screening compound: N~1~-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-methylbutanamide

S740-1226 Screening compound: N~1~-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-methylbutanamide
S740-1226 Screening compound: N~1~-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S740-1226
N~1~-[(8S,9aS)-2-cyclopropyl-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-3-methylbutanamide

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

S740-1226

Molecular Formula

C15H25N3O4S (C15 H25 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CC(N[C@@H](C1)CN(CCS(N2C3CC3)(=O)=O)[C@@H]1C2=O)=O

InChI

InChI=1S/C15H25N3O4S/c1-10(2)7-14(19)16-11-8-13-15(20)18(12-3-4-12)23(21,22)6-5-17(13)9-11/h10-13H,3-9H2,1-2H3,(H,16,19)/t11-,13-/m1/s1

InChI Key

UNZVCBOXAYTUCI-DGCLKSJQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.282

Distribution Coefficient, logD

0.281

Water Solubility, LogSw

-1.92

Polar Surface Area

72.969

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

86.67

References: we are preparing a list of scientific research reports with S740-1226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S740-1226?
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What is the minimum amount of S740-1226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S740-1226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S740-1226
  • 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 S740-1226 available by request