5471-0129 Screening compound: 1,3-diethyl 2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}propanedioate

5471-0129 Screening compound: 1,3-diethyl 2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}propanedioate
5471-0129 Screening compound: 1,3-diethyl 2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}propanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5471-0129
1,3-diethyl 2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}propanedioate

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

5471-0129

Molecular Formula

C19H22N4O4S (C19 H22 N4 O4 S)

Compound Name

1,3-diethyl 2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}propanedioate

IUPAC name

13-diethyl 2-{[5-(propan-2-yl)-5H-[124]triazino[56-b]indol-3-yl]sulfanyl}propanedioate

SMILES

CCOC(C(C(OCC)=O)Sc1nnc(c(cccc2)c2n2C(C)C)c2n1)=O

InChI

InChI=1S/C19H22N4O4S/c1-5-26-17(24)15(18(25)27-6-2)28-19-20-16-14(21-22-19)12-9-7-8-10-13(12)23(16)11(3)4/h7-11,15H,5-6H2,1-4H3

InChI Key

KNFWYDPRHGVZDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03487905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.491

Distribution Coefficient, logD

3.462

Water Solubility, LogSw

-3.64

Polar Surface Area

75.833

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

5471-0129 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5471-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5471-0129?
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What is the minimum amount of 5471-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5471-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5471-0129
  • 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 5471-0129 available by request