D296-0001 Screening compound: 1-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide

D296-0001 Screening compound: 1-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide
D296-0001 Screening compound: 1-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D296-0001
1-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide

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

D296-0001

Molecular Formula

C21H18N4O3 (C21 H18 N4 O3)

Compound Name

1-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)phenyl]-1H-123-triazole-4-carboxamide

SMILES

Cc1ccc(-c(cccc2)c2NC(c2cn(-c(cc3)ccc3OC)nn2)=O)o1

InChI

InChI=1S/C21H18N4O3/c1-14-7-12-20(28-14)17-5-3-4-6-18(17)22-21(26)19-13-25(24-23-19)15-8-10-16(27-2)11-9-15/h3-13H,1-2H3,(H,22,26)

InChI Key

MWGVFGQTOCPRBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14816979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.046

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-4.19

Polar Surface Area

64.362

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

-2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D296-0001 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D296-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D296-0001?
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What is the minimum amount of D296-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D296-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D296-0001
  • 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 D296-0001 available by request