6623-0395 Screening compound: 2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide

6623-0395 Screening compound: 2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
6623-0395 Screening compound: 2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-0395
2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(5-propyl-1,3,4-thiadiazol-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

6623-0395

Molecular Formula

C21H23N7OS2 (C21 H23 N7 OS2)

Compound Name

2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide

IUPAC name

2-{[5-(prop-2-en-1-yl)-5H-[124]triazino[56-b]indol-3-yl]sulfanyl}-N-(5-propyl-134-thiadiazol-2-yl)butanamide

SMILES

CCCc1nnc(NC(C(CC)Sc2nnc(c(cccc3)c3n3CC=C)c3n2)=O)s1

InChI

InChI=1S/C21H23N7OS2/c1-4-9-16-24-26-21(31-16)23-19(29)15(6-3)30-20-22-18-17(25-27-20)13-10-7-8-11-14(13)28(18)12-5-2/h5,7-8,10-11,15H,2,4,6,9,12H2,1,3H3,(H,23,26,29)/t15-/m0/s1

InChI Key

UDYKYFVIINGQHD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01821578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.182

Distribution Coefficient, logD

5.060

Water Solubility, LogSw

-5.19

Polar Surface Area

80.360

Acid Dissociation Constant (pKa)

7.89

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

6623-0395 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6623-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-0395?
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What is the minimum amount of 6623-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-0395
  • 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 6623-0395 available by request