C663-0587 Screening compound: ethyl 2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate

C663-0587 Screening compound: ethyl 2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate
C663-0587 Screening compound: ethyl 2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C663-0587
ethyl 2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate

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

C663-0587

Molecular Formula

C18H20N4O3S (C18 H20 N4 O3 S)

Compound Name

ethyl 2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate

IUPAC name

ethyl 2-{[4-ethyl-5-(1H-indol-3-yl)-4H-124-triazol-3-yl]sulfanyl}-3-oxobutanoate

SMILES

CCn1c(SC(C(C)=O)C(OCC)=O)nnc1-c1c[nH]c2c1cccc2

InChI

InChI=1S/C18H20N4O3S/c1-4-22-16(13-10-19-14-9-7-6-8-12(13)14)20-21-18(22)26-15(11(3)23)17(24)25-5-2/h6-10,15,19H,4-5H2,1-3H3/t15-/m0/s1

InChI Key

OCJLPECPKCFORD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD04469931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.201

Distribution Coefficient, logD

3.196

Water Solubility, LogSw

-3.30

Polar Surface Area

68.688

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C663-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C663-0587?
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What is the minimum amount of C663-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C663-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C663-0587
  • 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 C663-0587 available by request