K297-0254 Screening compound: 2-{[4-(butylamino)quinazolin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

K297-0254 Screening compound: 2-{[4-(butylamino)quinazolin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
K297-0254 Screening compound: 2-{[4-(butylamino)quinazolin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-0254
2-{[4-(butylamino)quinazolin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

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

K297-0254

Molecular Formula

C21H21F3N4OS (C21 H21 F3 N4 OS)

Compound Name

2-{[4-(butylamino)quinazolin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{[4-(butylamino)quinazolin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

CCCCNc1nc(SCC(Nc2cc(C(F)(F)F)ccc2)=O)nc2ccccc12

InChI

InChI=1S/C21H21F3N4OS/c1-2-3-11-25-19-16-9-4-5-10-17(16)27-20(28-19)30-13-18(29)26-15-8-6-7-14(12-15)21(22,23)24/h4-10,12H,2-3,11,13H2,1H3,(H,26,29)(H,25,27,28)

InChI Key

AFDMHRDZRJTGLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.277

Distribution Coefficient, logD

6.277

Water Solubility, LogSw

-5.71

Polar Surface Area

51.112

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K297-0254 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K297-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-0254?
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What is the minimum amount of K297-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-0254
  • 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 K297-0254 available by request