Y044-4911 Screening compound: (2S)-N~1~-[1-(2-methoxyethyl)-1H-indol-4-yl]-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide

Y044-4911 Screening compound: (2S)-N~1~-[1-(2-methoxyethyl)-1H-indol-4-yl]-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide
Y044-4911 Screening compound: (2S)-N~1~-[1-(2-methoxyethyl)-1H-indol-4-yl]-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-4911
(2S)-N~1~-[1-(2-methoxyethyl)-1H-indol-4-yl]-4-(methylsulfanyl)-2-(1H-pyrrol-1-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

Y044-4911

Molecular Formula

C20H25N3O2S (C20 H25 N3 O2 S)

Compound Name

(2S)-N~1~-[1-(2-methoxyethyl)-1H-indol-4-yl]-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide

IUPAC name

(2S)-N-[1-(2-methoxyethyl)-1H-indol-4-yl]-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide

SMILES

COCCn1c2cccc(NC(C(CCSC)n3cccc3)=O)c2cc1

InChI

InChI=1S/C20H25N3O2S/c1-25-14-13-23-12-8-16-17(6-5-7-18(16)23)21-20(24)19(9-15-26-2)22-10-3-4-11-22/h3-8,10-12,19H,9,13-15H2,1-2H3,(H,21,24)/t19-/m0/s1

InChI Key

VYXUXLZXMLBMIG-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.137

Distribution Coefficient, logD

3.137

Water Solubility, LogSw

-3.21

Polar Surface Area

36.858

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with Y044-4911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-4911?
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What is the minimum amount of Y044-4911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-4911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-4911
  • 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 Y044-4911 available by request