C109-1057 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-6-bromo-3-(2,4-dimethoxyphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-1057 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-6-bromo-3-(2,4-dimethoxyphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-1057 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-6-bromo-3-(2,4-dimethoxyphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-1057
N-[3-(4-benzylpiperazin-1-yl)propyl]-6-bromo-3-(2,4-dimethoxyphenyl)-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

C109-1057

Molecular Formula

C31H36BrN5O5 (C31 H36 BrN5 O5)

Compound Name

N-[3-(4-benzylpiperazin-1-yl)propyl]-6-bromo-3-(2,4-dimethoxyphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

IUPAC name

N-[3-(4-benzylpiperazin-1-yl)propyl]-6-bromo-3-(24-dimethoxyphenyl)-4-hydroxy-2-oxo-1234-tetrahydroquinazoline-4-carboxamide

SMILES

COc(cc1)cc(OC)c1N(C(C(NCCCN1CCN(Cc2ccccc2)CC1)=O)(c(cc(cc1)Br)c1N1)O)C1=O

InChI

InChI=1S/C31H36BrN5O5/c1-41-24-10-12-27(28(20-24)42-2)37-30(39)34-26-11-9-23(32)19-25(26)31(37,40)29(38)33-13-6-14-35-15-17-36(18-16-35)21-22-7-4-3-5-8-22/h3-5,7-12,19-20,40H,6,13-18,21H2,1-2H3,(H,33,38)(H,34,39)/t31-/m1/s1

InChI Key

MHUXKJBOPIMKAD-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD14720323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

638.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.888

Distribution Coefficient, logD

3.068

Water Solubility, LogSw

-4.00

Polar Surface Area

89.343

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

8.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.50

References: we are preparing a list of scientific research reports with C109-1057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-1057?
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What is the minimum amount of C109-1057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-1057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-1057
  • 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 C109-1057 available by request