C109-0033 Screening compound: 3-(3,4-dichlorophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0033 Screening compound: 3-(3,4-dichlorophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0033 Screening compound: 3-(3,4-dichlorophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0033
3-(3,4-dichlorophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-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

C109-0033

Molecular Formula

C22H26Cl2N4O3 (C22 H26 Cl2 N4 O3)

Compound Name

3-(3,4-dichlorophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

IUPAC name

3-(34-dichlorophenyl)-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1234-tetrahydroquinazoline-4-carboxamide

SMILES

CCN(CC)CCCNC(C(c(cccc1)c1N1)(N(c(cc2)cc(Cl)c2Cl)C1=O)O)=O

InChI

InChI=1S/C22H26Cl2N4O3/c1-3-27(4-2)13-7-12-25-20(29)22(31)16-8-5-6-9-19(16)26-21(30)28(22)15-10-11-17(23)18(24)14-15/h5-6,8-11,14,31H,3-4,7,12-13H2,1-2H3,(H,25,29)(H,26,30)/t22-/m1/s1

InChI Key

XFYZPTZOFPAMOE-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14720009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.939

Distribution Coefficient, logD

1.160

Water Solubility, LogSw

-4.03

Polar Surface Area

70.629

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

10.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

C109-0033 in Drug Discovery

Included in Screening Libraries

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 C109-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0033?
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What is the minimum amount of C109-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0033
  • 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 C109-0033 available by request