8017-1369 Screening compound: 2-({5,6-bis[4-(propan-2-yl)phenyl]-1,2,4-triazin-3-yl}sulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

8017-1369 Screening compound: 2-({5,6-bis[4-(propan-2-yl)phenyl]-1,2,4-triazin-3-yl}sulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
8017-1369 Screening compound: 2-({5,6-bis[4-(propan-2-yl)phenyl]-1,2,4-triazin-3-yl}sulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1369
2-({5,6-bis[4-(propan-2-yl)phenyl]-1,2,4-triazin-3-yl}sulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

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

8017-1369

Molecular Formula

C27H29N5O2S (C27 H29 N5 O2 S)

Compound Name

2-({5,6-bis[4-(propan-2-yl)phenyl]-1,2,4-triazin-3-yl}sulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

IUPAC name

2-({56-bis[4-(propan-2-yl)phenyl]-124-triazin-3-yl}sulfanyl)-N-(5-methyl-12-oxazol-3-yl)acetamide

SMILES

CC(C)c(cc1)ccc1-c1nc(SCC(Nc2noc(C)c2)=O)nnc1-c1ccc(C(C)C)cc1

InChI

InChI=1S/C27H29N5O2S/c1-16(2)19-6-10-21(11-7-19)25-26(22-12-8-20(9-13-22)17(3)4)30-31-27(29-25)35-15-24(33)28-23-14-18(5)34-32-23/h6-14,16-17H,15H2,1-5H3,(H,28,32,33)

InChI Key

MIEHUEOPHUHQMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04189481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.684

Distribution Coefficient, logD

6.665

Water Solubility, LogSw

-5.56

Polar Surface Area

76.330

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

8017-1369 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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 8017-1369 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8017-1369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1369
  • 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 8017-1369 available by request