K297-1059 Screening compound: 6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexan-1-one

K297-1059 Screening compound: 6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexan-1-one
K297-1059 Screening compound: 6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-1059
6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexan-1-one

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

K297-1059

Molecular Formula

C25H28F3N5OS (C25 H28 F3 N5 OS)

Compound Name

6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexan-1-one

IUPAC name

6-[(2-sulfanylidene-12-dihydroquinazolin-4-yl)amino]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}hexan-1-one

SMILES

O=C(CCCCCNC(c(cccc1)c1N1)=NC1=S)N(CC1)CCN1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C25H28F3N5OS/c26-25(27,28)18-7-6-8-19(17-18)32-13-15-33(16-14-32)22(34)11-2-1-5-12-29-23-20-9-3-4-10-21(20)30-24(35)31-23/h3-4,6-10,17H,1-2,5,11-16H2,(H2,29,30,31,35)

InChI Key

XKIKZJSIFAPTND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.991

Distribution Coefficient, logD

2.893

Water Solubility, LogSw

-4.15

Polar Surface Area

50.556

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with K297-1059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-1059?
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What is the minimum amount of K297-1059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-1059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-1059
  • 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 K297-1059 available by request