C337-0238 Screening compound: 1-({[2-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-1H-1,2,3-triazole-4,5-dicarboxylic acid

C337-0238 Screening compound: 1-({[2-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-1H-1,2,3-triazole-4,5-dicarboxylic acid
C337-0238 Screening compound: 1-({[2-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-1H-1,2,3-triazole-4,5-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C337-0238
1-({[2-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-1H-1,2,3-triazole-4,5-dicarboxylic acid

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

C337-0238

Molecular Formula

C15H14N4O7 (C15 H14 N4 O7)

Compound Name

1-({[2-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-1H-1,2,3-triazole-4,5-dicarboxylic acid

IUPAC name

1-({[2-(ethoxycarbonyl)phenyl]carbamoyl}methyl)-1H-123-triazole-45-dicarboxylic acid

SMILES

CCOC(c(cccc1)c1NC(Cn1nnc(C(O)=O)c1C(O)=O)=O)=O

InChI

InChI=1S/C15H14N4O7/c1-2-26-15(25)8-5-3-4-6-9(8)16-10(20)7-19-12(14(23)24)11(13(21)22)17-18-19/h3-6H,2,7H2,1H3,(H,16,20)(H,21,22)(H,23,24)

InChI Key

DHGWZHROAQYECF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.3

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.313

Distribution Coefficient, logD

-6.406

Water Solubility, LogSw

-2.30

Polar Surface Area

125.996

Acid Dissociation Constant (pKa)

1.31

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C337-0238 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C337-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C337-0238?
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What is the minimum amount of C337-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C337-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C337-0238
  • 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 C337-0238 available by request