D036-1734 Screening compound: 1-(4-tert-butylphenyl)-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one

D036-1734 Screening compound: 1-(4-tert-butylphenyl)-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one
D036-1734 Screening compound: 1-(4-tert-butylphenyl)-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D036-1734
1-(4-tert-butylphenyl)-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one

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

D036-1734

Molecular Formula

C26H28N4OS (C26 H28 N4 OS)

Compound Name

1-(4-tert-butylphenyl)-4-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}butan-1-one

IUPAC name

1-(4-tert-butylphenyl)-4-{[5-(prop-2-en-1-yl)-5H-[124]triazino[56-b]indol-3-yl]sulfanyl}butan-1-one

SMILES

CC(C)(C)c(cc1)ccc1C(CCCSc1nnc(c(cccc2)c2n2CC=C)c2n1)=O

InChI

InChI=1S/C26H28N4OS/c1-5-16-30-21-10-7-6-9-20(21)23-24(30)27-25(29-28-23)32-17-8-11-22(31)18-12-14-19(15-13-18)26(2,3)4/h5-7,9-10,12-15H,1,8,11,16-17H2,2-4H3

InChI Key

DVVFRKHOZRRVAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.366

Distribution Coefficient, logD

6.366

Water Solubility, LogSw

-5.71

Polar Surface Area

46.204

Acid Dissociation Constant (pKa)

21.45

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with D036-1734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D036-1734?
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What is the minimum amount of D036-1734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D036-1734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D036-1734
  • 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 D036-1734 available by request