C095-0412 Screening compound: 4-(diethylamino)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide

C095-0412 Screening compound: 4-(diethylamino)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide
C095-0412 Screening compound: 4-(diethylamino)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C095-0412
4-(diethylamino)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide

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

C095-0412

Molecular Formula

C29H33N7O (C29 H33 N7 O)

Compound Name

4-(diethylamino)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide

IUPAC name

4-(diethylamino)-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}benzamide

SMILES

CCN(CC)c(cc1)ccc1C(Nc1cc2c(C)cc(N(CC3)CCN3c3ncccn3)nc2cc1)=O

InChI

InChI=1S/C29H33N7O/c1-4-34(5-2)24-10-7-22(8-11-24)28(37)32-23-9-12-26-25(20-23)21(3)19-27(33-26)35-15-17-36(18-16-35)29-30-13-6-14-31-29/h6-14,19-20H,4-5,15-18H2,1-3H3,(H,32,37)

InChI Key

XSIOWOHZZZRMGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.100

Distribution Coefficient, logD

6.095

Water Solubility, LogSw

-5.51

Polar Surface Area

58.935

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

C095-0412 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C095-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C095-0412?
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What is the minimum amount of C095-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C095-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C095-0412
  • 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 C095-0412 available by request