Y043-6222 Screening compound: 3-(1H-pyrrol-1-yl)-1-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)-3-(3-thienyl)-1-propanone

Y043-6222 Screening compound: 3-(1H-pyrrol-1-yl)-1-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)-3-(3-thienyl)-1-propanone
Y043-6222 Screening compound: 3-(1H-pyrrol-1-yl)-1-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)-3-(3-thienyl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-6222
3-(1H-pyrrol-1-yl)-1-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)-3-(3-thienyl)-1-propanone

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

Y043-6222

Molecular Formula

C22H21N3OS (C22 H21 N3 OS)

Compound Name

3-(1H-pyrrol-1-yl)-1-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)-3-(3-thienyl)-1-propanone

IUPAC name

1-{1H2H3H4H9H-pyrido[34-b]indol-2-yl}-3-(1H-pyrrol-1-yl)-3-(thiophen-3-yl)propan-1-one

SMILES

O=C(CC(c1cscc1)n1cccc1)N(CC1)Cc2c1c(cccc1)c1[nH]2

InChI

InChI=1S/C22H21N3OS/c26-22(13-21(16-8-12-27-15-16)24-9-3-4-10-24)25-11-7-18-17-5-1-2-6-19(17)23-20(18)14-25/h1-6,8-10,12,15,21,23H,7,11,13-14H2/t21-/m0/s1

InChI Key

FMUPUGCMCNCKGZ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD31751652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.364

Distribution Coefficient, logD

3.364

Water Solubility, LogSw

-3.52

Polar Surface Area

31.412

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.73

Y043-6222 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y043-6222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-6222?
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What is the minimum amount of Y043-6222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-6222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-6222
  • 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 Y043-6222 available by request