C618-0222 Screening compound: 1,3-dimethyl 5-{4-chloro-8-methylthieno[3,2-c]quinoline-2-amido}benzene-1,3-dicarboxylate

C618-0222 Screening compound: 1,3-dimethyl 5-{4-chloro-8-methylthieno[3,2-c]quinoline-2-amido}benzene-1,3-dicarboxylate
C618-0222 Screening compound: 1,3-dimethyl 5-{4-chloro-8-methylthieno[3,2-c]quinoline-2-amido}benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C618-0222
1,3-dimethyl 5-{4-chloro-8-methylthieno[3,2-c]quinoline-2-amido}benzene-1,3-dicarboxylate

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

C618-0222

Molecular Formula

C23H17ClN2O5S (C23 H17 ClN2 O5 S)

Compound Name

1,3-dimethyl 5-{4-chloro-8-methylthieno[3,2-c]quinoline-2-amido}benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-{4-chloro-8-methylthieno[32-c]quinoline-2-amido}benzene-13-dicarboxylate

SMILES

Cc(cc1c2c3cc(C(Nc4cc(C(OC)=O)cc(C(OC)=O)c4)=O)s2)ccc1nc3Cl

InChI

InChI=1S/C23H17ClN2O5S/c1-11-4-5-17-15(6-11)19-16(20(24)26-17)10-18(32-19)21(27)25-14-8-12(22(28)30-2)7-13(9-14)23(29)31-3/h4-10H,1-3H3,(H,25,27)

InChI Key

JUDMIOSKLGJFIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.380

Distribution Coefficient, logD

6.378

Water Solubility, LogSw

-6.30

Polar Surface Area

75.392

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C618-0222 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C618-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C618-0222?
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What is the minimum amount of C618-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C618-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C618-0222
  • 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 C618-0222 available by request