Y041-7918 Screening compound: 1-(3-{8-methoxy-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}phenyl)-5-methyl-1H-1,2,3,4-tetrazole

Y041-7918 Screening compound: 1-(3-{8-methoxy-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}phenyl)-5-methyl-1H-1,2,3,4-tetrazole
Y041-7918 Screening compound: 1-(3-{8-methoxy-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}phenyl)-5-methyl-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-7918
1-(3-{8-methoxy-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carbonyl}phenyl)-5-methyl-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

Y041-7918

Molecular Formula

C21H20N6O2 (C21 H20 N6 O2)

Compound Name

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

IUPAC name

1-(3-{8-methoxy-1H2H3H4H5H-pyrido[43-b]indole-2-carbonyl}phenyl)-5-methyl-1H-1234-tetrazole

SMILES

Cc1nnnn1-c1cccc(C(N(CC2)Cc3c2[nH]c(cc2)c3cc2OC)=O)c1

InChI

InChI=1S/C21H20N6O2/c1-13-23-24-25-27(13)15-5-3-4-14(10-15)21(28)26-9-8-20-18(12-26)17-11-16(29-2)6-7-19(17)22-20/h3-7,10-11,22H,8-9,12H2,1-2H3

InChI Key

VPJGSIQAALXIEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28348875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.646

Distribution Coefficient, logD

1.646

Water Solubility, LogSw

-2.34

Polar Surface Area

75.059

Acid Dissociation Constant (pKa)

18.71

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

Y041-7918 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-7918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-7918?
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What is the minimum amount of Y041-7918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-7918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-7918
  • 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 Y041-7918 available by request