K297-0938 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide

K297-0938 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
K297-0938 Screening compound: N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-0938
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-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

K297-0938

Molecular Formula

C30H40N6O2S (C30 H40 N6 O2 S)

Compound Name

N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide

IUPAC name

N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-4-{[(2-sulfanylidene-12-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide

SMILES

COc(cc1)ccc1N1CCN(CCCNC(C2CCC(CNC(c(cccc3)c3N3)=NC3=S)CC2)=O)CC1

InChI

InChI=1S/C30H40N6O2S/c1-38-25-13-11-24(12-14-25)36-19-17-35(18-20-36)16-4-15-31-29(37)23-9-7-22(8-10-23)21-32-28-26-5-2-3-6-27(26)33-30(39)34-28/h2-3,5-6,11-14,22-23H,4,7-10,15-21H2,1H3,(H,31,37)(H2,32,33,34,39)

InChI Key

AWWUAWNKXYUOAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.023

Distribution Coefficient, logD

3.437

Water Solubility, LogSw

-4.19

Polar Surface Area

70.296

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with K297-0938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-0938?
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What is the minimum amount of K297-0938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-0938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-0938
  • 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 K297-0938 available by request