2043-3604 Screening compound: propan-2-yl 2-(3-chloro-1-benzothiophene-2-amido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

2043-3604 Screening compound: propan-2-yl 2-(3-chloro-1-benzothiophene-2-amido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
2043-3604 Screening compound: propan-2-yl 2-(3-chloro-1-benzothiophene-2-amido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2043-3604
propan-2-yl 2-(3-chloro-1-benzothiophene-2-amido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

2043-3604

Molecular Formula

C22H22ClNO3S2 (C22 H22 ClNO3 S2)

Compound Name

propan-2-yl 2-(3-chloro-1-benzothiophene-2-amido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

propan-2-yl 2-(3-chloro-1-benzothiophene-2-amido)-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CC(C)OC(c1c(NC(c(sc2c3cccc2)c3Cl)=O)sc2c1CCC(C)C2)=O

InChI

InChI=1S/C22H22ClNO3S2/c1-11(2)27-22(26)17-13-9-8-12(3)10-16(13)29-21(17)24-20(25)19-18(23)14-6-4-5-7-15(14)28-19/h4-7,11-12H,8-10H2,1-3H3,(H,24,25)/t12-/m1/s1

InChI Key

ZMJMKQUNVDSALW-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD01327841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.01

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.734

Distribution Coefficient, logD

2.864

Water Solubility, LogSw

-6.54

Polar Surface Area

44.224

Acid Dissociation Constant (pKa)

3.53

Base Dissociation Constant (pKb)

-4.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

2043-3604 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2043-3604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2043-3604?
Check Price and Availability of 2043-3604, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2043-3604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2043-3604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2043-3604
  • 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 2043-3604 available by request