C202-3209 Screening compound: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-(3,4-dimethoxyphenyl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

C202-3209 Screening compound: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-(3,4-dimethoxyphenyl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione
C202-3209 Screening compound: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-(3,4-dimethoxyphenyl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3209
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-(3,4-dimethoxyphenyl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

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

C202-3209

Molecular Formula

C26H21BrN2O4S (C26 H21 BrN2 O4 S)

Compound Name

3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-(3,4-dimethoxyphenyl)-1,2,5,6,7,8-hexahydroquinoline-2,5-dione

IUPAC name

3-[4-(4-bromophenyl)-13-thiazol-2-yl]-7-(34-dimethoxyphenyl)-125678-hexahydroquinoline-25-dione

SMILES

COc(ccc(C(C1)CC(NC(C(c2nc(-c(cc3)ccc3Br)cs2)=C2)=O)=C2C1=O)c1)c1OC

InChI

InChI=1S/C26H21BrN2O4S/c1-32-23-8-5-15(11-24(23)33-2)16-9-20-18(22(30)10-16)12-19(25(31)28-20)26-29-21(13-34-26)14-3-6-17(27)7-4-14/h3-8,11-13,16H,9-10H2,1-2H3,(H,28,31)/t16-/m0/s1

InChI Key

LYGBCQCMACONEA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14731537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.687

Distribution Coefficient, logD

4.746

Water Solubility, LogSw

-5.51

Polar Surface Area

62.786

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

-5.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

C202-3209 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-3209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3209?
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What is the minimum amount of C202-3209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3209
  • 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 C202-3209 available by request