D614-0223 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide

D614-0223 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
D614-0223 Screening compound: N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D614-0223
N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide

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

D614-0223

Molecular Formula

C25H20ClN5O2S (C25 H20 ClN5 O2 S)

Compound Name

N-{6-benzyl-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide

IUPAC name

N-{6-benzyl-5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide

SMILES

CC(Nc1nc(N(Cc2cccc(Cl)c2)C(c2cccs2)=O)nn11)=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C25H20ClN5O2S/c1-16-20(14-17-7-3-2-4-8-17)22(32)31-24(27-16)28-25(29-31)30(23(33)21-11-6-12-34-21)15-18-9-5-10-19(26)13-18/h2-13H,14-15H2,1H3,(H,27,28,29)

InChI Key

YJINTRRWDRNOPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.589

Distribution Coefficient, logD

5.525

Water Solubility, LogSw

-5.72

Polar Surface Area

65.548

Acid Dissociation Constant (pKa)

8.20

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

D614-0223 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D614-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D614-0223?
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What is the minimum amount of D614-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D614-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D614-0223
  • 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 D614-0223 available by request