3279-5178 Screening compound: 4-chloro-3-nitro-N-[4-oxo-2-(thiophen-2-yl)-3,4-dihydroquinazolin-3-yl]benzamide

3279-5178 Screening compound: 4-chloro-3-nitro-N-[4-oxo-2-(thiophen-2-yl)-3,4-dihydroquinazolin-3-yl]benzamide
3279-5178 Screening compound: 4-chloro-3-nitro-N-[4-oxo-2-(thiophen-2-yl)-3,4-dihydroquinazolin-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3279-5178
4-chloro-3-nitro-N-[4-oxo-2-(thiophen-2-yl)-3,4-dihydroquinazolin-3-yl]benzamide

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

3279-5178

Molecular Formula

C19H11ClN4O4S (C19 H11 ClN4 O4 S)

Compound Name

4-chloro-3-nitro-N-[4-oxo-2-(thiophen-2-yl)-3,4-dihydroquinazolin-3-yl]benzamide

IUPAC name

4-chloro-3-nitro-N-[4-oxo-2-(thiophen-2-yl)-34-dihydroquinazolin-3-yl]benzamide

SMILES

[O-][N+](c(cc(cc1)C(NN(C(c2cccs2)=Nc2c3cccc2)C3=O)=O)c1Cl)=O

InChI

InChI=1S/C19H11ClN4O4S/c20-13-8-7-11(10-15(13)24(27)28)18(25)22-23-17(16-6-3-9-29-16)21-14-5-2-1-4-12(14)19(23)26/h1-10H,(H,22,25)

InChI Key

QYMDVRSQWPSSKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02087112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.654

Distribution Coefficient, logD

2.616

Water Solubility, LogSw

-3.83

Polar Surface Area

85.850

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3279-5178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3279-5178?
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What is the minimum amount of 3279-5178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3279-5178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3279-5178
  • 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 3279-5178 available by request