3332-1154 Screening compound: methyl 2-[6-bromo-2-(4-nitrophenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl]acetate

3332-1154 Screening compound: methyl 2-[6-bromo-2-(4-nitrophenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl]acetate
3332-1154 Screening compound: methyl 2-[6-bromo-2-(4-nitrophenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3332-1154
methyl 2-[6-bromo-2-(4-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

3332-1154

Molecular Formula

C23H20BrN3O4 (C23 H20 BrN3 O4)

Compound Name

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

IUPAC name

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

SMILES

COC(CN(C1c2ccccc2)C(c(cc2)ccc2[N+]([O-])=O)Nc(cc2)c1cc2Br)=O

InChI

InChI=1S/C23H20BrN3O4/c1-31-21(28)14-26-22(15-5-3-2-4-6-15)19-13-17(24)9-12-20(19)25-23(26)16-7-10-18(11-8-16)27(29)30/h2-13,22-23,25H,14H2,1H3

InChI Key

SRHQYJVMKSILMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.594

Distribution Coefficient, logD

5.591

Water Solubility, LogSw

-5.43

Polar Surface Area

68.101

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 3332-1154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3332-1154?
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What is the minimum amount of 3332-1154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3332-1154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3332-1154
  • 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 3332-1154 available by request