D475-2297 Screening compound: ethyl 2-[5-hydroxy-3-methyl-4-(3-methylbutyl)-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

D475-2297 Screening compound: ethyl 2-[5-hydroxy-3-methyl-4-(3-methylbutyl)-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
D475-2297 Screening compound: ethyl 2-[5-hydroxy-3-methyl-4-(3-methylbutyl)-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D475-2297
ethyl 2-[5-hydroxy-3-methyl-4-(3-methylbutyl)-1H-pyrazol-1-yl]-4-methyl-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

D475-2297

Molecular Formula

C16H23N3O3S (C16 H23 N3 O3 S)

Compound Name

ethyl 2-[5-hydroxy-3-methyl-4-(3-methylbutyl)-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-[5-hydroxy-3-methyl-4-(3-methylbutyl)-1H-pyrazol-1-yl]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(-n2nc(C)c(CCC(C)C)c2O)s1)=O

InChI

InChI=1S/C16H23N3O3S/c1-6-22-15(21)13-11(5)17-16(23-13)19-14(20)12(10(4)18-19)8-7-9(2)3/h9,20H,6-8H2,1-5H3

InChI Key

XRXQZLJUSCIIGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.699

Distribution Coefficient, logD

2.083

Water Solubility, LogSw

-3.93

Polar Surface Area

61.239

Acid Dissociation Constant (pKa)

5.79

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

D475-2297 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D475-2297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D475-2297?
Check Price and Availability of D475-2297, 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 D475-2297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D475-2297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D475-2297
  • 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 D475-2297 available by request