D319-0338 Screening compound: 2-methylpropyl 4-methyl-2-(4-methyl-1,2,3-thiadiazole-5-amido)-1,3-thiazole-5-carboxylate

D319-0338 Screening compound: 2-methylpropyl 4-methyl-2-(4-methyl-1,2,3-thiadiazole-5-amido)-1,3-thiazole-5-carboxylate
D319-0338 Screening compound: 2-methylpropyl 4-methyl-2-(4-methyl-1,2,3-thiadiazole-5-amido)-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D319-0338
2-methylpropyl 4-methyl-2-(4-methyl-1,2,3-thiadiazole-5-amido)-1,3-thiazole-5-carboxylate

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

D319-0338

Molecular Formula

C13H16N4O3S2 (C13 H16 N4 O3 S2)

Compound Name

2-methylpropyl 4-methyl-2-(4-methyl-1,2,3-thiadiazole-5-amido)-1,3-thiazole-5-carboxylate

IUPAC name

2-methylpropyl 4-methyl-2-(4-methyl-123-thiadiazole-5-amido)-13-thiazole-5-carboxylate

SMILES

CC(C)COC(c1c(C)nc(NC(c2c(C)nns2)=O)s1)=O

InChI

InChI=1S/C13H16N4O3S2/c1-6(2)5-20-12(19)10-7(3)14-13(21-10)15-11(18)9-8(4)16-17-22-9/h6H,5H2,1-4H3,(H,14,15,18)

InChI Key

KEGVZLRPJAQEBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.872

Distribution Coefficient, logD

1.288

Water Solubility, LogSw

-3.20

Polar Surface Area

77.525

Acid Dissociation Constant (pKa)

5.83

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

D319-0338 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D319-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D319-0338?
Check Price and Availability of D319-0338, 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 D319-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D319-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D319-0338
  • 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 D319-0338 available by request