C337-0109 Screening compound: 4,5-diethyl 1-{[(4-acetylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate

C337-0109 Screening compound: 4,5-diethyl 1-{[(4-acetylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate
C337-0109 Screening compound: 4,5-diethyl 1-{[(4-acetylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C337-0109
4,5-diethyl 1-{[(4-acetylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate

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

C337-0109

Molecular Formula

C18H20N4O6 (C18 H20 N4 O6)

Compound Name

4,5-diethyl 1-{[(4-acetylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate

IUPAC name

45-diethyl 1-{[(4-acetylphenyl)carbamoyl]methyl}-1H-123-triazole-45-dicarboxylate

SMILES

CCOC(c1c(C(OCC)=O)nnn1CC(Nc(cc1)ccc1C(C)=O)=O)=O

InChI

InChI=1S/C18H20N4O6/c1-4-27-17(25)15-16(18(26)28-5-2)22(21-20-15)10-14(24)19-13-8-6-12(7-9-13)11(3)23/h6-9H,4-5,10H2,1-3H3,(H,19,24)

InChI Key

KESIAAKUBOCFCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.38

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.130

Distribution Coefficient, logD

1.129

Water Solubility, LogSw

-2.20

Polar Surface Area

104.458

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C337-0109 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C337-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C337-0109?
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What is the minimum amount of C337-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C337-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C337-0109
  • 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 C337-0109 available by request