C109-0097 Screening compound: 3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0097 Screening compound: 3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0097 Screening compound: 3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0097
3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-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

C109-0097

Molecular Formula

C18H18ClN3O3 (C18 H18 ClN3 O3)

Compound Name

3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1,2,3,4-tetrahydroquinazoline-4-carboxamide

IUPAC name

3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1234-tetrahydroquinazoline-4-carboxamide

SMILES

CCCNC(C(c(cccc1)c1N1)(N(c(cc2)ccc2Cl)C1=O)O)=O

InChI

InChI=1S/C18H18ClN3O3/c1-2-11-20-16(23)18(25)14-5-3-4-6-15(14)21-17(24)22(18)13-9-7-12(19)8-10-13/h3-10,25H,2,11H2,1H3,(H,20,23)(H,21,24)/t18-/m1/s1

InChI Key

YIRRHAULBYIDTI-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14720047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.081

Distribution Coefficient, logD

3.081

Water Solubility, LogSw

-3.66

Polar Surface Area

67.218

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

C109-0097 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 C109-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0097?
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What is the minimum amount of C109-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0097
  • 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 C109-0097 available by request