5632-0053 Screening compound: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide

5632-0053 Screening compound: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
5632-0053 Screening compound: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5632-0053
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide

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

5632-0053

Molecular Formula

C16H17N5O2S2 (C16 H17 N5 O2 S2)

Compound Name

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide

IUPAC name

N-[5-(2-methylpropyl)-134-thiadiazol-2-yl]-2-[(4-oxo-34-dihydroquinazolin-2-yl)sulfanyl]acetamide

SMILES

CC(C)Cc1nnc(NC(CSC(N2)=Nc(cccc3)c3C2=O)=O)s1

InChI

InChI=1S/C16H17N5O2S2/c1-9(2)7-13-20-21-16(25-13)18-12(22)8-24-15-17-11-6-4-3-5-10(11)14(23)19-15/h3-6,9H,7-8H2,1-2H3,(H,17,19,23)(H,18,21,22)

InChI Key

AITHLPAPUBWXTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03613229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.648

Distribution Coefficient, logD

2.521

Water Solubility, LogSw

-3.52

Polar Surface Area

81.691

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

5632-0053 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5632-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5632-0053?
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What is the minimum amount of 5632-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5632-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5632-0053
  • 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 5632-0053 available by request