3332-1157 Screening compound: methyl 2-[6-bromo-2-(2-hydroxy-5-methoxy-3-nitrophenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl]acetate

3332-1157 Screening compound: methyl 2-[6-bromo-2-(2-hydroxy-5-methoxy-3-nitrophenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl]acetate
3332-1157 Screening compound: methyl 2-[6-bromo-2-(2-hydroxy-5-methoxy-3-nitrophenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3332-1157
methyl 2-[6-bromo-2-(2-hydroxy-5-methoxy-3-nitrophenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl]acetate

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

3332-1157

Molecular Formula

C24H22BrN3O6 (C24 H22 BrN3 O6)

Compound Name

methyl 2-[6-bromo-2-(2-hydroxy-5-methoxy-3-nitrophenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl]acetate

IUPAC name

methyl 2-[6-bromo-2-(2-hydroxy-5-methoxy-3-nitrophenyl)-4-phenyl-1234-tetrahydroquinazolin-3-yl]acetate

SMILES

COC(CN(C1c2ccccc2)C(c(cc(cc2[N+]([O-])=O)OC)c2O)Nc(cc2)c1cc2Br)=O

InChI

InChI=1S/C24H22BrN3O6/c1-33-16-11-18(23(30)20(12-16)28(31)32)24-26-19-9-8-15(25)10-17(19)22(14-6-4-3-5-7-14)27(24)13-21(29)34-2/h3-12,22,24,26,30H,13H2,1-2H3

InChI Key

FEGNLQIECXPTBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02046064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.846

Distribution Coefficient, logD

5.800

Water Solubility, LogSw

-5.37

Polar Surface Area

90.823

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

5.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 3332-1157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3332-1157?
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What is the minimum amount of 3332-1157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3332-1157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3332-1157
  • 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 3332-1157 available by request