C109-0207 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0207 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0207 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0207
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(4-ethoxyphenyl)-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

C109-0207

Molecular Formula

C25H29N3O4 (C25 H29 N3 O4)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1234-tetrahydroquinazoline-4-carboxamide

SMILES

CCOc(cc1)ccc1N(C(C(NCCC1=CCCCC1)=O)(c(cccc1)c1N1)O)C1=O

InChI

InChI=1S/C25H29N3O4/c1-2-32-20-14-12-19(13-15-20)28-24(30)27-22-11-7-6-10-21(22)25(28,31)23(29)26-17-16-18-8-4-3-5-9-18/h6-8,10-15,31H,2-5,9,16-17H2,1H3,(H,26,29)(H,27,30)/t25-/m1/s1

InChI Key

AKGUIEZWCGCEEX-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14720111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.934

Distribution Coefficient, logD

3.934

Water Solubility, LogSw

-3.80

Polar Surface Area

74.262

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

C109-0207 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 C109-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0207?
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What is the minimum amount of C109-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0207
  • 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 C109-0207 available by request