4896-0971 Screening compound: (2E)-1-{5H-[1,2,4]triazino[5,6-b]indol-3-yl}-2-[(3,8,8-trimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)methylidene]hydrazine

4896-0971 Screening compound: (2E)-1-{5H-[1,2,4]triazino[5,6-b]indol-3-yl}-2-[(3,8,8-trimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)methylidene]hydrazine
4896-0971 Screening compound: (2E)-1-{5H-[1,2,4]triazino[5,6-b]indol-3-yl}-2-[(3,8,8-trimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)methylidene]hydrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-0971
(2E)-1-{5H-[1,2,4]triazino[5,6-b]indol-3-yl}-2-[(3,8,8-trimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)methylidene]hydrazine

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

4896-0971

Molecular Formula

C23H28N6 (C23 H28 N6)

Compound Name

(2E)-1-{5H-[1,2,4]triazino[5,6-b]indol-3-yl}-2-[(3,8,8-trimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)methylidene]hydrazine

IUPAC name

(2E)-1-{5H-[124]triazino[56-b]indol-3-yl}-2-[(388-trimethyl-12346788a-octahydronaphthalen-2-yl)methylidene]hydrazine

SMILES

CC(CC1=CCCC(C)(C)C1C1)C1/C=N/Nc1nc([nH]c2c3cccc2)c3nn1

InChI

InChI=1S/C23H28N6/c1-14-11-15-7-6-10-23(2,3)18(15)12-16(14)13-24-28-22-26-21-20(27-29-22)17-8-4-5-9-19(17)25-21/h4-5,7-9,13-14,16,18H,6,10-12H2,1-3H3,(H2,25,26,28,29)

InChI Key

ZJMNWWOSWJJSTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00683577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.582

Distribution Coefficient, logD

4.519

Water Solubility, LogSw

-4.40

Polar Surface Area

65.468

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

47.80

4896-0971 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 4896-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4896-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-0971
  • 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 4896-0971 available by request