3030-2329 Screening compound: 2-(4-bromo-3-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one

3030-2329 Screening compound: 2-(4-bromo-3-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
3030-2329 Screening compound: 2-(4-bromo-3-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3030-2329
2-(4-bromo-3-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-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

3030-2329

Molecular Formula

C16H15BrN4O3S (C16 H15 BrN4 O3 S)

Compound Name

2-(4-bromo-3-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one

IUPAC name

5-(4-bromo-3-nitrophenyl)-11-methyl-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-3-one

SMILES

CN(CC1)Cc2c1c(C(NC(c(cc1)cc([N+]([O-])=O)c1Br)N1)=O)c1s2

InChI

InChI=1S/C16H15BrN4O3S/c1-20-5-4-9-12(7-20)25-16-13(9)15(22)18-14(19-16)8-2-3-10(17)11(6-8)21(23)24/h2-3,6,14,19H,4-5,7H2,1H3,(H,18,22)/t14-/m1/s1

InChI Key

DUYBKUVWMWZCHH-CQSZACIVSA-N

MDL Number (MFCD)

MFCD02287891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.399

Distribution Coefficient, logD

1.462

Water Solubility, LogSw

-2.98

Polar Surface Area

72.690

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 3030-2329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3030-2329?
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What is the minimum amount of 3030-2329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3030-2329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3030-2329
  • 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 3030-2329 available by request