D481-0158 Screening compound: 3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide

D481-0158 Screening compound: 3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide
D481-0158 Screening compound: 3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0158
3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide

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

D481-0158

Molecular Formula

C17H22N6O2S (C17 H22 N6 O2 S)

Compound Name

3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide

IUPAC name

3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4H7H-[124]triazolo[15-a]pyrimidin-6-yl)-N-propylpropanamide

SMILES

CCCNC(CCC1=C(C)Nc2nc(NCc3cccs3)nn2C1=O)=O

InChI

InChI=1S/C17H22N6O2S/c1-3-8-18-14(24)7-6-13-11(2)20-17-21-16(22-23(17)15(13)25)19-10-12-5-4-9-26-12/h4-5,9H,3,6-8,10H2,1-2H3,(H,18,24)(H2,19,20,21,22)

InChI Key

JKKLGGURIXDRMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13919792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.496

Distribution Coefficient, logD

1.453

Water Solubility, LogSw

-2.35

Polar Surface Area

87.223

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

D481-0158 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D481-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0158?
Check Price and Availability of D481-0158, 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 D481-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0158
  • 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 D481-0158 available by request