Y010-1223 Screening compound: ethyl 5-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamoyl}amino)-1,2,3-thiadiazole-4-carboxylate

Y010-1223 Screening compound: ethyl 5-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamoyl}amino)-1,2,3-thiadiazole-4-carboxylate
Y010-1223 Screening compound: ethyl 5-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamoyl}amino)-1,2,3-thiadiazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1223
ethyl 5-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamoyl}amino)-1,2,3-thiadiazole-4-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

Y010-1223

Molecular Formula

C17H19N5O4S (C17 H19 N5 O4 S)

Compound Name

ethyl 5-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamoyl}amino)-1,2,3-thiadiazole-4-carboxylate

IUPAC name

ethyl 5-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamoyl}amino)-123-thiadiazole-4-carboxylate

SMILES

CCOC(c1c(NC(NCCc2c[nH]c(cc3)c2cc3OC)=O)snn1)=O

InChI

InChI=1S/C17H19N5O4S/c1-3-26-16(23)14-15(27-22-21-14)20-17(24)18-7-6-10-9-19-13-5-4-11(25-2)8-12(10)13/h4-5,8-9,19H,3,6-7H2,1-2H3,(H2,18,20,24)

InChI Key

WPHFOBVNXPMFPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11707322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.141

Distribution Coefficient, logD

0.872

Water Solubility, LogSw

-2.95

Polar Surface Area

93.286

Acid Dissociation Constant (pKa)

6.16

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

Y010-1223 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y010-1223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1223?
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What is the minimum amount of Y010-1223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1223
  • 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 Y010-1223 available by request