S740-0714 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]-5-fluoro-2-pyridinecarboxamide

S740-0714 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]-5-fluoro-2-pyridinecarboxamide
S740-0714 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]-5-fluoro-2-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S740-0714
N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-5-fluoro-2-pyridinecarboxamide

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

S740-0714

Molecular Formula

C16H21FN4O5S (C16 H21 FN4 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]-5-fluoro-2-pyridinecarboxamide

IUPAC name

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

SMILES

COCCN(C([C@H](C[C@@H](C1)NC(c(cc2)ncc2F)=O)N1CC1)=O)S1(=O)=O

InChI

InChI=1S/C16H21FN4O5S/c1-26-6-4-21-16(23)14-8-12(10-20(14)5-7-27(21,24)25)19-15(22)13-3-2-11(17)9-18-13/h2-3,9,12,14H,4-8,10H2,1H3,(H,19,22)/t12-,14-/m1/s1

InChI Key

HKJJXZNJSHJLNO-TZMCWYRMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-1.035

Distribution Coefficient, logD

-1.035

Water Solubility, LogSw

-2.03

Polar Surface Area

90.693

Acid Dissociation Constant (pKa)

12.64

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.25

S740-0714 in Drug Discovery

Included in Screening Libraries

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 S740-0714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S740-0714?
Check Price and Availability of S740-0714, 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 S740-0714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S740-0714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S740-0714
  • 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 S740-0714 available by request