Y040-3217 Screening compound: 4-[(1H-indol-2-yl)formamido]-N-(1,3-thiazol-2-yl)butanamide

Y040-3217 Screening compound: 4-[(1H-indol-2-yl)formamido]-N-(1,3-thiazol-2-yl)butanamide
Y040-3217 Screening compound: 4-[(1H-indol-2-yl)formamido]-N-(1,3-thiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3217
4-[(1H-indol-2-yl)formamido]-N-(1,3-thiazol-2-yl)butanamide

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

Y040-3217

Molecular Formula

C16H16N4O2S (C16 H16 N4 O2 S)

Compound Name

4-[(1H-indol-2-yl)formamido]-N-(1,3-thiazol-2-yl)butanamide

IUPAC name

4-[(1H-indol-2-yl)formamido]-N-(13-thiazol-2-yl)butanamide

SMILES

O=C(CCCNC(c1cc(cccc2)c2[nH]1)=O)Nc1nccs1

InChI

InChI=1S/C16H16N4O2S/c21-14(20-16-18-8-9-23-16)6-3-7-17-15(22)13-10-11-4-1-2-5-12(11)19-13/h1-2,4-5,8-10,19H,3,6-7H2,(H,17,22)(H,18,20,21)

InChI Key

CDBMVAJEVPIVTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12201187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.127

Distribution Coefficient, logD

2.126

Water Solubility, LogSw

-3.03

Polar Surface Area

67.470

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

Y040-3217 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y040-3217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3217?
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What is the minimum amount of Y040-3217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3217
  • 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 Y040-3217 available by request