D481-0180 Screening compound: N-[4-(dimethylamino)phenyl]-3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

D481-0180 Screening compound: N-[4-(dimethylamino)phenyl]-3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
D481-0180 Screening compound: N-[4-(dimethylamino)phenyl]-3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0180
N-[4-(dimethylamino)phenyl]-3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

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

D481-0180

Molecular Formula

C22H25N7O2S (C22 H25 N7 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nc(NCc2cccs2)nn11)=C(CCC(Nc(cc2)ccc2N(C)C)=O)C1=O

InChI

InChI=1S/C22H25N7O2S/c1-14-18(10-11-19(30)25-15-6-8-16(9-7-15)28(2)3)20(31)29-22(24-14)26-21(27-29)23-13-17-5-4-12-32-17/h4-9,12H,10-11,13H2,1-3H3,(H,25,30)(H2,23,24,26,27)

InChI Key

UCMXSKDRQVMPLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13919813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.819

Distribution Coefficient, logD

2.767

Water Solubility, LogSw

-3.40

Polar Surface Area

88.593

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with D481-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0180?
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What is the minimum amount of D481-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0180
  • 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 D481-0180 available by request