4570-0010 Screening compound: methyl 3-phenyl-2-[2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]propanoate

4570-0010 Screening compound: methyl 3-phenyl-2-[2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]propanoate
4570-0010 Screening compound: methyl 3-phenyl-2-[2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4570-0010
methyl 3-phenyl-2-[2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]propanoate

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

4570-0010

Molecular Formula

C24H25N5O3S (C24 H25 N5 O3 S)

Compound Name

methyl 3-phenyl-2-[2-({5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]propanoate

IUPAC name

methyl 3-phenyl-2-[2-({5-propyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)acetamido]propanoate

SMILES

CCCn1c2nc(SCC(NC(Cc3ccccc3)C(OC)=O)=O)nnc2c2c1cccc2

InChI

InChI=1S/C24H25N5O3S/c1-3-13-29-19-12-8-7-11-17(19)21-22(29)26-24(28-27-21)33-15-20(30)25-18(23(31)32-2)14-16-9-5-4-6-10-16/h4-12,18H,3,13-15H2,1-2H3,(H,25,30)/t18-/m0/s1

InChI Key

NMFGCUCSRNKGLN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04128752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.635

Distribution Coefficient, logD

3.635

Water Solubility, LogSw

-3.87

Polar Surface Area

78.232

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with 4570-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4570-0010?
Check Price and Availability of 4570-0010, 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 4570-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4570-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4570-0010
  • 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 4570-0010 available by request