K788-7643 Screening compound: ethyl 4-{[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioyl]amino}benzoate

K788-7643 Screening compound: ethyl 4-{[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioyl]amino}benzoate
K788-7643 Screening compound: ethyl 4-{[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-7643
ethyl 4-{[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioyl]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

K788-7643

Molecular Formula

C22H26N2O4S (C22 H26 N2 O4 S)

Compound Name

ethyl 4-{[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioyl]amino}benzoate

IUPAC name

ethyl 4-{[2-(34-dimethoxyphenyl)pyrrolidine-1-carbothioyl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NC(N(CCC1)C1c(cc1)cc(OC)c1OC)=S)=O

InChI

InChI=1S/C22H26N2O4S/c1-4-28-21(25)15-7-10-17(11-8-15)23-22(29)24-13-5-6-18(24)16-9-12-19(26-2)20(14-16)27-3/h7-12,14,18H,4-6,13H2,1-3H3,(H,23,29)/t18-/m0/s1

InChI Key

XOWVHVMZZWQGBH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15107317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.363

Distribution Coefficient, logD

4.363

Water Solubility, LogSw

-4.25

Polar Surface Area

46.940

Acid Dissociation Constant (pKa)

14.06

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

K788-7643 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-7643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-7643?
Check Price and Availability of K788-7643, 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 K788-7643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-7643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-7643
  • 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 K788-7643 available by request