Y043-8449 Screening compound: 1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-4-(1H-pyrrol-1-yl)-1-butanone

Y043-8449 Screening compound: 1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-4-(1H-pyrrol-1-yl)-1-butanone
Y043-8449 Screening compound: 1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-4-(1H-pyrrol-1-yl)-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8449
1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-4-(1H-pyrrol-1-yl)-1-butanone

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

Y043-8449

Molecular Formula

C19H20ClN3O (C19 H20 ClN3 O)

Compound Name

1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-4-(1H-pyrrol-1-yl)-1-butanone

IUPAC name

1-{8-chloro-1H2H3H4H5H-pyrido[43-b]indol-2-yl}-4-(1H-pyrrol-1-yl)butan-1-one

SMILES

O=C(CCCn1cccc1)N(CC1)Cc2c1[nH]c(cc1)c2cc1Cl

InChI

InChI=1S/C19H20ClN3O/c20-14-5-6-17-15(12-14)16-13-23(11-7-18(16)21-17)19(24)4-3-10-22-8-1-2-9-22/h1-2,5-6,8-9,12,21H,3-4,7,10-11,13H2

InChI Key

RUABLIXNFJRSTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32262677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.84

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

2.825

Distribution Coefficient, logD

2.825

Water Solubility, LogSw

-3.63

Polar Surface Area

30.932

Acid Dissociation Constant (pKa)

18.68

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

References: we are preparing a list of scientific research reports with Y043-8449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8449?
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What is the minimum amount of Y043-8449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8449
  • 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 Y043-8449 available by request