D481-0200 Screening compound: methyl 2-[3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]acetate

D481-0200 Screening compound: methyl 2-[3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]acetate
D481-0200 Screening compound: methyl 2-[3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0200
methyl 2-[3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]acetate

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

D481-0200

Molecular Formula

C17H20N6O4S (C17 H20 N6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nc(NCc2cccs2)nn11)=C(CCC(NCC(OC)=O)=O)C1=O

InChI

InChI=1S/C17H20N6O4S/c1-10-12(5-6-13(24)18-9-14(25)27-2)15(26)23-17(20-10)21-16(22-23)19-8-11-4-3-7-28-11/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,24)(H2,19,20,21,22)

InChI Key

ADQQMNDIMALBSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13919833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.726

Distribution Coefficient, logD

0.683

Water Solubility, LogSw

-2.10

Polar Surface Area

107.961

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

D481-0200 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Integrin Receptors Targeted library (1715 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D481-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0200?
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What is the minimum amount of D481-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0200
  • 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 D481-0200 available by request