D529-0131 Screening compound: ethyl 4-{[(2,4-dimethoxyphenyl)carbamoyl]methyl}-5-methyl-7-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

D529-0131 Screening compound: ethyl 4-{[(2,4-dimethoxyphenyl)carbamoyl]methyl}-5-methyl-7-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
D529-0131 Screening compound: ethyl 4-{[(2,4-dimethoxyphenyl)carbamoyl]methyl}-5-methyl-7-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D529-0131
ethyl 4-{[(2,4-dimethoxyphenyl)carbamoyl]methyl}-5-methyl-7-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

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

D529-0131

Molecular Formula

C26H29N5O5 (C26 H29 N5 O5)

Compound Name

ethyl 4-{[(2,4-dimethoxyphenyl)carbamoyl]methyl}-5-methyl-7-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 4-{[(24-dimethoxyphenyl)carbamoyl]methyl}-5-methyl-7-(4-methylphenyl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(C)N(CC(Nc(ccc(OC)c2)c2OC)=O)c2ncnn2C1c1ccc(C)cc1)=O

InChI

InChI=1S/C26H29N5O5/c1-6-36-25(33)23-17(3)30(14-22(32)29-20-12-11-19(34-4)13-21(20)35-5)26-27-15-28-31(26)24(23)18-9-7-16(2)8-10-18/h7-13,15,24H,6,14H2,1-5H3,(H,29,32)/t24-/m0/s1

InChI Key

HVWUOZPCEWYVQN-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD27591318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.882

Distribution Coefficient, logD

3.882

Water Solubility, LogSw

-3.93

Polar Surface Area

84.600

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with D529-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D529-0131?
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What is the minimum amount of D529-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D529-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D529-0131
  • 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 D529-0131 available by request