4773-0275 Screening compound: 3-(2,1,3-benzothiadiazol-5-yl)-6-iodo-2-methyl-4(3H)-quinazolinone

4773-0275 Screening compound: 3-(2,1,3-benzothiadiazol-5-yl)-6-iodo-2-methyl-4(3H)-quinazolinone
4773-0275 Screening compound: 3-(2,1,3-benzothiadiazol-5-yl)-6-iodo-2-methyl-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4773-0275
3-(2,1,3-benzothiadiazol-5-yl)-6-iodo-2-methyl-4(3H)-quinazolinone

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

4773-0275

Molecular Formula

C15H9IN4OS (C15 H9 IN4 OS)

Compound Name

3-(2,1,3-benzothiadiazol-5-yl)-6-iodo-2-methyl-4(3H)-quinazolinone

IUPAC name

3-(213-benzothiadiazol-5-yl)-6-iodo-2-methyl-34-dihydroquinazolin-4-one

SMILES

CC(N1c2cc3nsnc3cc2)=Nc(ccc(I)c2)c2C1=O

InChI

InChI=1S/C15H9IN4OS/c1-8-17-12-4-2-9(16)6-11(12)15(21)20(8)10-3-5-13-14(7-10)19-22-18-13/h2-7H,1H3

InChI Key

YKRLXNZCAPUILP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02913931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.181

Distribution Coefficient, logD

4.156

Water Solubility, LogSw

-4.34

Polar Surface Area

43.956

Acid Dissociation Constant (pKa)

20.10

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

4773-0275 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4773-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4773-0275?
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What is the minimum amount of 4773-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4773-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4773-0275
  • 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 4773-0275 available by request