C337-0029 Screening compound: 4,5-dimethyl 1-{[(2,6-dimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate

C337-0029 Screening compound: 4,5-dimethyl 1-{[(2,6-dimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate
C337-0029 Screening compound: 4,5-dimethyl 1-{[(2,6-dimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C337-0029
4,5-dimethyl 1-{[(2,6-dimethylphenyl)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

C337-0029

Molecular Formula

C16H18N4O5 (C16 H18 N4 O5)

Compound Name

4,5-dimethyl 1-{[(2,6-dimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate

IUPAC name

45-dimethyl 1-{[(26-dimethylphenyl)carbamoyl]methyl}-1H-123-triazole-45-dicarboxylate

SMILES

Cc1cccc(C)c1NC(Cn1nnc(C(OC)=O)c1C(OC)=O)=O

InChI

InChI=1S/C16H18N4O5/c1-9-6-5-7-10(2)12(9)17-11(21)8-20-14(16(23)25-4)13(18-19-20)15(22)24-3/h5-7H,8H2,1-4H3,(H,17,21)

InChI Key

YOYDZUAFUPXKRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.072

Distribution Coefficient, logD

1.072

Water Solubility, LogSw

-2.05

Polar Surface Area

90.076

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with C337-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C337-0029?
Check Price and Availability of C337-0029, 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 C337-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C337-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C337-0029
  • 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 C337-0029 available by request