4300-0658 Screening compound: 2-bromo-3,4,5-trimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide

4300-0658 Screening compound: 2-bromo-3,4,5-trimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
4300-0658 Screening compound: 2-bromo-3,4,5-trimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0658
2-bromo-3,4,5-trimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide

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

4300-0658

Molecular Formula

C20H19BrN2O4S (C20 H19 BrN2 O4 S)

Compound Name

2-bromo-3,4,5-trimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide

IUPAC name

2-bromo-345-trimethoxy-N-[4-(4-methylphenyl)-13-thiazol-2-yl]benzamide

SMILES

Cc(cc1)ccc1-c1csc(NC(c(c(Br)c2OC)cc(OC)c2OC)=O)n1

InChI

InChI=1S/C20H19BrN2O4S/c1-11-5-7-12(8-6-11)14-10-28-20(22-14)23-19(24)13-9-15(25-2)17(26-3)18(27-4)16(13)21/h5-10H,1-4H3,(H,22,23,24)

InChI Key

NJAVRKDULCUECS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02358349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.35

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

5.845

Distribution Coefficient, logD

5.845

Water Solubility, LogSw

-5.50

Polar Surface Area

56.169

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4300-0658 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4300-0658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0658?
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What is the minimum amount of 4300-0658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0658
  • 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 4300-0658 available by request