F793-0450 Screening compound: 5-{1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

F793-0450 Screening compound: 5-{1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
F793-0450 Screening compound: 5-{1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F793-0450
5-{1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

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

F793-0450

Molecular Formula

C21H20BrN5O2S (C21 H20 BrN5 O2 S)

Compound Name

5-{1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-{1-[(3-bromophenyl)carbamoyl]pyrrolidin-2-yl}-N-(4-methylphenyl)-134-thiadiazole-2-carboxamide

SMILES

Cc(cc1)ccc1NC(c1nnc(C(CCC2)N2C(Nc2cccc(Br)c2)=O)s1)=O

InChI

InChI=1S/C21H20BrN5O2S/c1-13-7-9-15(10-8-13)23-18(28)20-26-25-19(30-20)17-6-3-11-27(17)21(29)24-16-5-2-4-14(22)12-16/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,23,28)(H,24,29)/t17-/m0/s1

InChI Key

NPWDDPBUDNBKFZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27190384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.388

Distribution Coefficient, logD

4.388

Water Solubility, LogSw

-4.18

Polar Surface Area

72.091

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

F793-0450 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F793-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F793-0450?
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What is the minimum amount of F793-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F793-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F793-0450
  • 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 F793-0450 available by request