Y043-2187 Screening compound: 3-[5-(benzyloxy)-1H-indol-1-yl]-N~1~-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide

Y043-2187 Screening compound: 3-[5-(benzyloxy)-1H-indol-1-yl]-N~1~-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
Y043-2187 Screening compound: 3-[5-(benzyloxy)-1H-indol-1-yl]-N~1~-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-2187
3-[5-(benzyloxy)-1H-indol-1-yl]-N~1~-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide

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

Y043-2187

Molecular Formula

C22H22N4O3S (C22 H22 N4 O3 S)

Compound Name

3-[5-(benzyloxy)-1H-indol-1-yl]-N~1~-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide

IUPAC name

3-[5-(benzyloxy)-1H-indol-1-yl]-N-[5-(methoxymethyl)-134-thiadiazol-2-yl]propanamide

SMILES

COCc1nnc(NC(CCn(cc2)c(cc3)c2cc3OCc2ccccc2)=O)s1

InChI

InChI=1S/C22H22N4O3S/c1-28-15-21-24-25-22(30-21)23-20(27)10-12-26-11-9-17-13-18(7-8-19(17)26)29-14-16-5-3-2-4-6-16/h2-9,11,13H,10,12,14-15H2,1H3,(H,23,25,27)

InChI Key

MFHSVIHQHGRGJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19711723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.921

Distribution Coefficient, logD

3.694

Water Solubility, LogSw

-4.00

Polar Surface Area

64.897

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

References: we are preparing a list of scientific research reports with Y043-2187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-2187?
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What is the minimum amount of Y043-2187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-2187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-2187
  • 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 Y043-2187 available by request