D351-1198 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-{2-[3,5-dimethyl-4-(3-methylbutyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}acetamide

D351-1198 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-{2-[3,5-dimethyl-4-(3-methylbutyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}acetamide
D351-1198 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-{2-[3,5-dimethyl-4-(3-methylbutyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D351-1198
N-(5-chloro-2-methoxyphenyl)-2-{2-[3,5-dimethyl-4-(3-methylbutyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}acetamide

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

D351-1198

Molecular Formula

C22H27ClN4O2S (C22 H27 ClN4 O2 S)

Compound Name

N-(5-chloro-2-methoxyphenyl)-2-{2-[3,5-dimethyl-4-(3-methylbutyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}acetamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-{2-[35-dimethyl-4-(3-methylbutyl)-1H-pyrazol-1-yl]-13-thiazol-4-yl}acetamide

SMILES

CC(C)CCc1c(C)n(-c2nc(CC(Nc(cc(cc3)Cl)c3OC)=O)cs2)nc1C

InChI

InChI=1S/C22H27ClN4O2S/c1-13(2)6-8-18-14(3)26-27(15(18)4)22-24-17(12-30-22)11-21(28)25-19-10-16(23)7-9-20(19)29-5/h7,9-10,12-13H,6,8,11H2,1-5H3,(H,25,28)

InChI Key

OFUXNDGUEDFQMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14822300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.308

Distribution Coefficient, logD

5.302

Water Solubility, LogSw

-5.80

Polar Surface Area

54.782

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

D351-1198 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 D351-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D351-1198?
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What is the minimum amount of D351-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D351-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D351-1198
  • 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 D351-1198 available by request