6623-1228 Screening compound: 2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetic acid

6623-1228 Screening compound: 2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetic acid
6623-1228 Screening compound: 2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-1228
2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetic acid

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

6623-1228

Molecular Formula

C14H14N4O2S (C14 H14 N4 O2 S)

Compound Name

2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetic acid

IUPAC name

2-({5-propyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)acetic acid

SMILES

CCCn1c2nc(SCC(O)=O)nnc2c2c1cccc2

InChI

InChI=1S/C14H14N4O2S/c1-2-7-18-10-6-4-3-5-9(10)12-13(18)15-14(17-16-12)21-8-11(19)20/h3-6H,2,7-8H2,1H3,(H,19,20)

InChI Key

BZOOHWIELUXWHR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.259

Distribution Coefficient, logD

-1.034

Water Solubility, LogSw

-2.43

Polar Surface Area

61.612

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 6623-1228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-1228?
Check Price and Availability of 6623-1228, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6623-1228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-1228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-1228
  • 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 6623-1228 available by request