K297-1042 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanamide

K297-1042 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanamide
K297-1042 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-1042
N-[2-(cyclohex-1-en-1-yl)ethyl]-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanamide

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

K297-1042

Molecular Formula

C22H30N4OS (C22 H30 N4 OS)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-6-[(2-sulfanylidene-12-dihydroquinazolin-4-yl)amino]hexanamide

SMILES

O=C(CCCCCNC(c(cccc1)c1N1)=NC1=S)NCCC1=CCCCC1

InChI

InChI=1S/C22H30N4OS/c27-20(23-16-14-17-9-3-1-4-10-17)13-5-2-8-15-24-21-18-11-6-7-12-19(18)25-22(28)26-21/h6-7,9,11-12H,1-5,8,10,13-16H2,(H,23,27)(H2,24,25,26,28)

InChI Key

DIVMJSIURBWCHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.995

Distribution Coefficient, logD

1.897

Water Solubility, LogSw

-3.57

Polar Surface Area

55.409

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with K297-1042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-1042?
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What is the minimum amount of K297-1042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-1042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-1042
  • 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 K297-1042 available by request