SA10-1036 Screening compound: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methyl-7-(methylsulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine-5-carboxamide

SA10-1036 Screening compound: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methyl-7-(methylsulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine-5-carboxamide
SA10-1036 Screening compound: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methyl-7-(methylsulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA10-1036
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methyl-7-(methylsulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine-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

SA10-1036

Molecular Formula

C19H23ClN6O3S (C19 H23 ClN6 O3 S)

Compound Name

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methyl-7-(methylsulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine-5-carboxamide

IUPAC name

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-7-methanesulfonyl-3-methyl-5H6H7H8H9H-[124]triazolo[43-d][14]diazepine-5-carboxamide

SMILES

Cc1nnc(CCN(C2)S(C)(=O)=O)n1C2C(NCCc1c[nH]c(cc2)c1cc2Cl)=O

InChI

InChI=1S/C19H23ClN6O3S/c1-12-23-24-18-6-8-25(30(2,28)29)11-17(26(12)18)19(27)21-7-5-13-10-22-16-4-3-14(20)9-15(13)16/h3-4,9-10,17,22H,5-8,11H2,1-2H3,(H,21,27)/t17-/m0/s1

InChI Key

CGOBWFKFUXTBGN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32234762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.556

Distribution Coefficient, logD

0.556

Water Solubility, LogSw

-2.78

Polar Surface Area

92.652

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

SA10-1036 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA10-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA10-1036?
Check Price and Availability of SA10-1036, 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 SA10-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA10-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA10-1036
  • 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 SA10-1036 available by request