C109-0279 Screening compound: N-BUTYL-3-(4-ETHOXYPHENYL)-4-HYDROXY-2-OXO-1,2,3,4-TETRAHYDROQUINAZOLINE-4-CARBOXAMIDE

C109-0279 Screening compound: N-BUTYL-3-(4-ETHOXYPHENYL)-4-HYDROXY-2-OXO-1,2,3,4-TETRAHYDROQUINAZOLINE-4-CARBOXAMIDE
C109-0279 Screening compound: N-BUTYL-3-(4-ETHOXYPHENYL)-4-HYDROXY-2-OXO-1,2,3,4-TETRAHYDROQUINAZOLINE-4-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0279
N-BUTYL-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

C109-0279

Molecular Formula

C21H25N3O4 (C21 H25 N3 O4)

Compound Name

N-BUTYL-3-(4-ETHOXYPHENYL)-4-HYDROXY-2-OXO-1,2,3,4-TETRAHYDROQUINAZOLINE-4-CARBOXAMIDE

IUPAC name

N-butyl-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1234-tetrahydroquinazoline-4-carboxamide

SMILES

CCCCNC(C(c(cccc1)c1N1)(N(c(cc2)ccc2OCC)C1=O)O)=O

InChI

InChI=1S/C21H25N3O4/c1-3-5-14-22-19(25)21(27)17-8-6-7-9-18(17)23-20(26)24(21)15-10-12-16(13-11-15)28-4-2/h6-13,27H,3-5,14H2,1-2H3,(H,22,25)(H,23,26)/t21-/m1/s1

InChI Key

IOMOKCSZXCAPTJ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14720135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

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

3.442

Distribution Coefficient, logD

3.442

Water Solubility, LogSw

-3.61

Polar Surface Area

74.342

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C109-0279 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 C109-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0279?
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What is the minimum amount of C109-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0279
  • 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 C109-0279 available by request