D333-0399 Screening compound: N-(4-bromo-2-methylphenyl)-2-{2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl}acetamide

D333-0399 Screening compound: N-(4-bromo-2-methylphenyl)-2-{2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl}acetamide
D333-0399 Screening compound: N-(4-bromo-2-methylphenyl)-2-{2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D333-0399
N-(4-bromo-2-methylphenyl)-2-{2-[(3-methylphenoxy)methyl]-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

D333-0399

Molecular Formula

C20H19BrN2O2S (C20 H19 BrN2 O2 S)

Compound Name

N-(4-bromo-2-methylphenyl)-2-{2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl}acetamide

IUPAC name

N-(4-bromo-2-methylphenyl)-2-{2-[(3-methylphenoxy)methyl]-13-thiazol-4-yl}acetamide

SMILES

Cc1cccc(OCc2nc(CC(Nc(cc3)c(C)cc3Br)=O)cs2)c1

InChI

InChI=1S/C20H19BrN2O2S/c1-13-4-3-5-17(8-13)25-11-20-22-16(12-26-20)10-19(24)23-18-7-6-15(21)9-14(18)2/h3-9,12H,10-11H2,1-2H3,(H,23,24)

InChI Key

DPWCRMKKUYNLCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.262

Distribution Coefficient, logD

5.262

Water Solubility, LogSw

-5.07

Polar Surface Area

40.642

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D333-0399 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 D333-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D333-0399?
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What is the minimum amount of D333-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D333-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D333-0399
  • 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 D333-0399 available by request