4333-6944 Screening compound: 3-benzyl-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1,2,3,4-tetrahydroquinazolin-4-one

4333-6944 Screening compound: 3-benzyl-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1,2,3,4-tetrahydroquinazolin-4-one
4333-6944 Screening compound: 3-benzyl-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4333-6944
3-benzyl-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1,2,3,4-tetrahydroquinazolin-4-one

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

4333-6944

Molecular Formula

C28H27BrN4O2 (C28 H27 BrN4 O2)

Compound Name

3-benzyl-2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

3-benzyl-2-{3-[(4-bromo-35-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1234-tetrahydroquinazolin-4-one

SMILES

Cc(n(Cc(cc(C(Nc1c2cccc1)N(Cc1ccccc1)C2=O)cc1)c1OC)nc1C)c1Br

InChI

InChI=1S/C28H27BrN4O2/c1-18-26(29)19(2)33(31-18)17-22-15-21(13-14-25(22)35-3)27-30-24-12-8-7-11-23(24)28(34)32(27)16-20-9-5-4-6-10-20/h4-15,27,30H,16-17H2,1-3H3/t27-/m0/s1

InChI Key

BVOQUBGEAFPKBU-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02217515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.019

Distribution Coefficient, logD

5.019

Water Solubility, LogSw

-4.73

Polar Surface Area

49.255

Acid Dissociation Constant (pKa)

17.12

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 4333-6944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4333-6944?
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What is the minimum amount of 4333-6944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4333-6944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4333-6944
  • 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 4333-6944 available by request