C368-0237 Screening compound: 5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[(3-fluorophenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide

C368-0237 Screening compound: 5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[(3-fluorophenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
C368-0237 Screening compound: 5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[(3-fluorophenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C368-0237
5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[(3-fluorophenyl)carbamoyl]methyl}-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

C368-0237

Molecular Formula

C19H17FN6O4 (C19 H17 FN6 O4)

Compound Name

5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[(3-fluorophenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-amino-N-[(2H-13-benzodioxol-5-yl)methyl]-1-{[(3-fluorophenyl)carbamoyl]methyl}-1H-123-triazole-4-carboxamide

SMILES

Nc1c(C(NCc(cc2)cc3c2OCO3)=O)nnn1CC(Nc1cccc(F)c1)=O

InChI

InChI=1S/C19H17FN6O4/c20-12-2-1-3-13(7-12)23-16(27)9-26-18(21)17(24-25-26)19(28)22-8-11-4-5-14-15(6-11)30-10-29-14/h1-7H,8-10,21H2,(H,22,28)(H,23,27)

InChI Key

GENCESJXYICCHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.347

Distribution Coefficient, logD

1.346

Water Solubility, LogSw

-2.22

Polar Surface Area

110.875

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with C368-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C368-0237?
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What is the minimum amount of C368-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C368-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C368-0237
  • 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 C368-0237 available by request