8017-8607 Screening compound: methyl 2-[({3-[(2-chlorobenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridin-2-yl}carbonyl)amino]benzoate

8017-8607 Screening compound: methyl 2-[({3-[(2-chlorobenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridin-2-yl}carbonyl)amino]benzoate
8017-8607 Screening compound: methyl 2-[({3-[(2-chlorobenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridin-2-yl}carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8607
methyl 2-[({3-[(2-chlorobenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridin-2-yl}carbonyl)amino]benzoate

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

8017-8607

Molecular Formula

C25H20ClN3O4S (C25 H20 ClN3 O4 S)

Compound Name

methyl 2-[({3-[(2-chlorobenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridin-2-yl}carbonyl)amino]benzoate

IUPAC name

methyl 2-[3-(2-chlorobenzamido)-46-dimethylthieno[23-b]pyridine-2-amido]benzoate

SMILES

Cc1c(c(NC(c(cccc2)c2Cl)=O)c(C(Nc(cccc2)c2C(OC)=O)=O)s2)c2nc(C)c1

InChI

InChI=1S/C25H20ClN3O4S/c1-13-12-14(2)27-24-19(13)20(29-22(30)15-8-4-6-10-17(15)26)21(34-24)23(31)28-18-11-7-5-9-16(18)25(32)33-3/h4-12H,1-3H3,(H,28,31)(H,29,30)

InChI Key

RXDYJLBJZAATBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.712

Distribution Coefficient, logD

4.562

Water Solubility, LogSw

-4.90

Polar Surface Area

75.028

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

8017-8607 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-8607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8607?
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What is the minimum amount of 8017-8607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8607
  • 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 8017-8607 available by request