C336-0199 Screening compound: N~1~-(3-METHYLPHENYL)-2-({2-OXO-3-[3-OXO-3-(4-PHENYLPIPERAZINO)PROPYL]-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)BUTANAMIDE

C336-0199 Screening compound: N~1~-(3-METHYLPHENYL)-2-({2-OXO-3-[3-OXO-3-(4-PHENYLPIPERAZINO)PROPYL]-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)BUTANAMIDE
C336-0199 Screening compound: N~1~-(3-METHYLPHENYL)-2-({2-OXO-3-[3-OXO-3-(4-PHENYLPIPERAZINO)PROPYL]-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)BUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C336-0199
N~1~-(3-METHYLPHENYL)-2-({2-OXO-3-[3-OXO-3-(4-PHENYLPIPERAZINO)PROPYL]-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)BUTANAMIDE

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

C336-0199

Molecular Formula

C34H36N6O3S (C34 H36 N6 O3 S)

Compound Name

N~1~-(3-METHYLPHENYL)-2-({2-OXO-3-[3-OXO-3-(4-PHENYLPIPERAZINO)PROPYL]-2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLIN-5-YL}SULFANYL)BUTANAMIDE

IUPAC name

n/a

SMILES

CCC(C(Nc1cc(C)ccc1)=O)SC(N1C2CCC(N(CC3)CCN3c3ccccc3)=O)=Nc(cccc3)c3C1=NC2=O

InChI

InChI=1S/C34H36N6O3S/c1-3-29(33(43)35-24-11-9-10-23(2)22-24)44-34-36-27-15-8-7-14-26(27)31-37-32(42)28(40(31)34)16-17-30(41)39-20-18-38(19-21-39)25-12-5-4-6-13-25/h4-15,22,28-29H,3,16-21H2,1-2H3,(H,35,43)

InChI Key

LPCUXGNGQNCWEM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

608.76

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.531

Distribution Coefficient, logD

4.530

Water Solubility, LogSw

-4.35

Polar Surface Area

78.167

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.40

C336-0199 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C336-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C336-0199?
Check Price and Availability of C336-0199, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C336-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C336-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C336-0199
  • 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 C336-0199 available by request