S731-1518 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one

S731-1518 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one
S731-1518 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S731-1518
1-(2,1,3-benzothiadiazole-4-sulfonyl)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one

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

S731-1518

Molecular Formula

C28H35N7O4S2 (C28 H35 N7 O4 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-9-one

IUPAC name

(9aR11R12aS)-1-(213-benzothiadiazole-4-sulfonyl)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]-tetradecahydrocyclopenta[b]15-diazacycloundecan-9-one

SMILES

O=C([C@H](C[C@H]1C(NCCCCCC2)=O)C[C@@H]1N2S(c1cccc2nsnc12)(=O)=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C28H35N7O4S2/c36-27-21-18-20(28(37)34-16-14-33(15-17-34)25-10-3-5-11-29-25)19-23(21)35(13-6-2-1-4-12-30-27)41(38,39)24-9-7-8-22-26(24)32-40-31-22/h3,5,7-11,20-21,23H,1-2,4,6,12-19H2,(H,30,36)/t20-,21+,23-/m0/s1

InChI Key

VRYLCDBGBVGDSA-XJUOHMSHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

597.76

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.051

Distribution Coefficient, logD

3.042

Water Solubility, LogSw

-3.29

Polar Surface Area

107.086

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

53.57

S731-1518 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S731-1518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S731-1518?
Check Price and Availability of S731-1518, 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 S731-1518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S731-1518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S731-1518
  • 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 S731-1518 available by request