K611-0099 Screening compound: 4-amino-N-(4-methoxyphenyl)-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3-thiazole-5-carboxamide

K611-0099 Screening compound: 4-amino-N-(4-methoxyphenyl)-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3-thiazole-5-carboxamide
K611-0099 Screening compound: 4-amino-N-(4-methoxyphenyl)-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K611-0099
4-amino-N-(4-methoxyphenyl)-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3-thiazole-5-carboxamide

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

K611-0099

Molecular Formula

C20H17F3N4O3S2 (C20 H17 F3 N4 O3 S2)

Compound Name

4-amino-N-(4-methoxyphenyl)-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3-thiazole-5-carboxamide

IUPAC name

4-amino-N-(4-methoxyphenyl)-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-13-thiazole-5-carboxamide

SMILES

COc(cc1)ccc1NC(c1c(N)nc(SCC(Nc2cc(C(F)(F)F)ccc2)=O)s1)=O

InChI

InChI=1S/C20H17F3N4O3S2/c1-30-14-7-5-12(6-8-14)26-18(29)16-17(24)27-19(32-16)31-10-15(28)25-13-4-2-3-11(9-13)20(21,22)23/h2-9H,10,24H2,1H3,(H,25,28)(H,26,29)

InChI Key

ZPFDXILTKZRCQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.536

Distribution Coefficient, logD

4.535

Water Solubility, LogSw

-4.53

Polar Surface Area

83.814

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

K611-0099 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K611-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K611-0099?
Check Price and Availability of K611-0099, 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 K611-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K611-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K611-0099
  • 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 K611-0099 available by request