8016-2520 Screening compound: ethyl 4,5-dimethyl-2-[(2-{[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-3-thiophenecarboxylate

8016-2520 Screening compound: ethyl 4,5-dimethyl-2-[(2-{[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-3-thiophenecarboxylate
8016-2520 Screening compound: ethyl 4,5-dimethyl-2-[(2-{[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2520
ethyl 4,5-dimethyl-2-[(2-{[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-3-thiophenecarboxylate

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

8016-2520

Molecular Formula

C18H19N5O3S2 (C18 H19 N5 O3 S2)

Compound Name

ethyl 4,5-dimethyl-2-[(2-{[5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-3-thiophenecarboxylate

IUPAC name

ethyl 45-dimethyl-2-(2-{[5-(pyridin-4-yl)-4H-124-triazol-3-yl]sulfanyl}acetamido)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2nnc(-c3ccncc3)[nH]2)=O)sc(C)c1C)=O

InChI

InChI=1S/C18H19N5O3S2/c1-4-26-17(25)14-10(2)11(3)28-16(14)20-13(24)9-27-18-21-15(22-23-18)12-5-7-19-8-6-12/h5-8H,4,9H2,1-3H3,(H,20,24)(H,21,22,23)

InChI Key

WYSUWXZFBVLPCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05842927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.246

Distribution Coefficient, logD

0.154

Water Solubility, LogSw

-2.45

Polar Surface Area

85.599

Acid Dissociation Constant (pKa)

5.31

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

References: we are preparing a list of scientific research reports with 8016-2520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2520?
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What is the minimum amount of 8016-2520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2520
  • 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 8016-2520 available by request