K783-3987 Screening compound: 2-({cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}amino)acetic acid

K783-3987 Screening compound: 2-({cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}amino)acetic acid
K783-3987 Screening compound: 2-({cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}amino)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-3987
2-({cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}amino)acetic acid

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

K783-3987

Molecular Formula

C18H26N2O5S (C18 H26 N2 O5 S)

Compound Name

2-({cyclopentyl[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl}amino)acetic acid

IUPAC name

2-({cyclopentyl[(345-trimethoxyphenyl)methyl]carbamothioyl}amino)acetic acid

SMILES

COc1cc(CN(C2CCCC2)C(NCC(O)=O)=S)cc(OC)c1OC

InChI

InChI=1S/C18H26N2O5S/c1-23-14-8-12(9-15(24-2)17(14)25-3)11-20(13-6-4-5-7-13)18(26)19-10-16(21)22/h8-9,13H,4-7,10-11H2,1-3H3,(H,19,26)(H,21,22)

InChI Key

IPIKQOUHVNUUBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03450538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.586

Distribution Coefficient, logD

-1.347

Water Solubility, LogSw

-2.19

Polar Surface Area

62.994

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

K783-3987 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Dark Chemical Matter Library (18430 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K783-3987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-3987?
Check Price and Availability of K783-3987, 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 K783-3987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-3987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-3987
  • 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 K783-3987 available by request