S740-0743 Screening compound: N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-ethyl-1H-pyrazole-5-carboxamide

S740-0743 Screening compound: N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-ethyl-1H-pyrazole-5-carboxamide
S740-0743 Screening compound: N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-ethyl-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S740-0743
N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-ethyl-1H-pyrazole-5-carboxamide

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

S740-0743

Molecular Formula

C16H25N5O5S (C16 H25 N5 O5 S)

Compound Name

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

IUPAC name

N-[(8S9aS)-2-(2-methoxyethyl)-133-trioxo-octahydro-3lambda6-pyrrolo[21-d][125]thiadiazepin-8-yl]-1-ethyl-1H-pyrazole-5-carboxamide

SMILES

CCn1nccc1C(N[C@@H](C1)CN(CCS(N2CCOC)(=O)=O)[C@@H]1C2=O)=O

InChI

InChI=1S/C16H25N5O5S/c1-3-20-13(4-5-17-20)15(22)18-12-10-14-16(23)21(6-8-26-2)27(24,25)9-7-19(14)11-12/h4-5,12,14H,3,6-11H2,1-2H3,(H,18,22)/t12-,14-/m1/s1

InChI Key

NZBIPRSIRWXSQC-TZMCWYRMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.832

Distribution Coefficient, logD

-1.832

Water Solubility, LogSw

-2.02

Polar Surface Area

94.645

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.75

References: we are preparing a list of scientific research reports with S740-0743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S740-0743?
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What is the minimum amount of S740-0743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S740-0743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S740-0743
  • 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 S740-0743 available by request