Y040-8871 Screening compound: 3-(3,4-dimethoxyphenyl)-N-[4-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide

Y040-8871 Screening compound: 3-(3,4-dimethoxyphenyl)-N-[4-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide
Y040-8871 Screening compound: 3-(3,4-dimethoxyphenyl)-N-[4-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8871
3-(3,4-dimethoxyphenyl)-N-[4-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-1,3-thiazol-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

Y040-8871

Molecular Formula

C25H27N3O4S (C25 H27 N3 O4 S)

Compound Name

3-(3,4-dimethoxyphenyl)-N-[4-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide

IUPAC name

3-(34-dimethoxyphenyl)-N-[4-(5-methoxy-12-dimethyl-1H-indol-3-yl)-13-thiazol-2-yl]propanamide

SMILES

Cc1c(-c2csc(NC(CCc(cc3)cc(OC)c3OC)=O)n2)c(cc(cc2)OC)c2n1C

InChI

InChI=1S/C25H27N3O4S/c1-15-24(18-13-17(30-3)8-9-20(18)28(15)2)19-14-33-25(26-19)27-23(29)11-7-16-6-10-21(31-4)22(12-16)32-5/h6,8-10,12-14H,7,11H2,1-5H3,(H,26,27,29)

InChI Key

UTZNZTZZAWIJSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08746921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.522

Distribution Coefficient, logD

4.522

Water Solubility, LogSw

-4.59

Polar Surface Area

57.978

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

Y040-8871 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with Y040-8871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8871?
Check Price and Availability of Y040-8871, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y040-8871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8871
  • 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 Y040-8871 available by request