Y041-3507 Screening compound: 1-(1-{8-chloro-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}cyclohexyl)-1H-1,2,3,4-tetrazole

Y041-3507 Screening compound: 1-(1-{8-chloro-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}cyclohexyl)-1H-1,2,3,4-tetrazole
Y041-3507 Screening compound: 1-(1-{8-chloro-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}cyclohexyl)-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3507
1-(1-{8-chloro-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}cyclohexyl)-1H-1,2,3,4-tetrazole

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

Y041-3507

Molecular Formula

C19H21ClN6O (C19 H21 ClN6 O)

Compound Name

1-(1-{8-chloro-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}cyclohexyl)-1H-1,2,3,4-tetrazole

IUPAC name

1-(1-{8-chloro-1H2H3H4H5H-pyrido[43-b]indole-2-carbonyl}cyclohexyl)-1H-1234-tetrazole

SMILES

O=C(C1(CCCCC1)n1nnnc1)N(CC1)Cc2c1[nH]c(cc1)c2cc1Cl

InChI

InChI=1S/C19H21ClN6O/c20-13-4-5-16-14(10-13)15-11-25(9-6-17(15)22-16)18(27)19(7-2-1-3-8-19)26-12-21-23-24-26/h4-5,10,12,22H,1-3,6-9,11H2

InChI Key

RJWLZCVQVTXVQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD24860743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.132

Distribution Coefficient, logD

3.132

Water Solubility, LogSw

-3.63

Polar Surface Area

66.980

Acid Dissociation Constant (pKa)

18.68

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

Y041-3507 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Others
  • Nuclear receptors
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-3507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3507?
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What is the minimum amount of Y041-3507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3507
  • 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 Y041-3507 available by request