D443-1909 Screening compound: 2-{1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carbonyl}-1,2,3,4-tetrahydroisoquinoline

D443-1909 Screening compound: 2-{1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carbonyl}-1,2,3,4-tetrahydroisoquinoline
D443-1909 Screening compound: 2-{1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carbonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D443-1909
2-{1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carbonyl}-1,2,3,4-tetrahydroisoquinoline

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

D443-1909

Molecular Formula

C26H20ClN5O2 (C26 H20 ClN5 O2)

Compound Name

2-{1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carbonyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{1-[3-(4-chlorophenyl)-21-benzoxazol-5-yl]-5-methyl-1H-123-triazole-4-carbonyl}-1234-tetrahydroisoquinoline

SMILES

Cc1c(C(N(CC2)Cc3c2cccc3)=O)nnn1-c1cc2c(-c(cc3)ccc3Cl)onc2cc1

InChI

InChI=1S/C26H20ClN5O2/c1-16-24(26(33)31-13-12-17-4-2-3-5-19(17)15-31)28-30-32(16)21-10-11-23-22(14-21)25(34-29-23)18-6-8-20(27)9-7-18/h2-11,14H,12-13,15H2,1H3

InChI Key

MHIUIFPGBRQIKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10082059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.324

Distribution Coefficient, logD

5.324

Water Solubility, LogSw

-6.00

Polar Surface Area

64.875

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D443-1909 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D443-1909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D443-1909?
Check Price and Availability of D443-1909, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D443-1909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D443-1909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D443-1909
  • 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 D443-1909 available by request