C592-0301 Screening compound: methyl 2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

C592-0301 Screening compound: methyl 2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
C592-0301 Screening compound: methyl 2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-0301
methyl 2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

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

C592-0301

Molecular Formula

C17H20N4O3S (C17 H20 N4 O3 S)

Compound Name

methyl 2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

IUPAC name

methyl 2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-124-triazol-3-yl]sulfanyl}propanoate

SMILES

CC(C(OC)=O)Sc1nnc(-c2c[nH]c3c2cccc3)n1CCOC

InChI

InChI=1S/C17H20N4O3S/c1-11(16(22)24-3)25-17-20-19-15(21(17)8-9-23-2)13-10-18-14-7-5-4-6-12(13)14/h4-7,10-11,18H,8-9H2,1-3H3/t11-/m0/s1

InChI Key

UEUKMDXTIXCFIV-NSHDSACASA-N

MDL Number (MFCD)

MFCD04470027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.868

Distribution Coefficient, logD

2.868

Water Solubility, LogSw

-3.25

Polar Surface Area

63.878

Acid Dissociation Constant (pKa)

16.90

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with C592-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-0301?
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What is the minimum amount of C592-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-0301
  • 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 C592-0301 available by request