6623-1383 Screening compound: 2-({5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide

6623-1383 Screening compound: 2-({5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
6623-1383 Screening compound: 2-({5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-1383
2-({5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide

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

6623-1383

Molecular Formula

C29H24N6OS2 (C29 H24 N6 OS2)

Compound Name

2-({5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide

IUPAC name

2-({5-benzyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)-N-(4-phenyl-13-thiazol-2-yl)butanamide

SMILES

CCC(C(Nc1nc(-c2ccccc2)cs1)=O)Sc1nnc(c(cccc2)c2n2Cc3ccccc3)c2n1

InChI

InChI=1S/C29H24N6OS2/c1-2-24(27(36)32-28-30-22(18-37-28)20-13-7-4-8-14-20)38-29-31-26-25(33-34-29)21-15-9-10-16-23(21)35(26)17-19-11-5-3-6-12-19/h3-16,18,24H,2,17H2,1H3,(H,30,32,36)/t24-/m0/s1

InChI Key

UPPRURGIZUWIGA-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD06196041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.416

Distribution Coefficient, logD

7.416

Water Solubility, LogSw

-5.97

Polar Surface Area

65.844

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.80

6623-1383 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 6623-1383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-1383?
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What is the minimum amount of 6623-1383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-1383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-1383
  • 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 6623-1383 available by request