F913-0052 Screening compound: 5-[(4-chlorophenoxy)methyl]-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide

F913-0052 Screening compound: 5-[(4-chlorophenoxy)methyl]-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
F913-0052 Screening compound: 5-[(4-chlorophenoxy)methyl]-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F913-0052
5-[(4-chlorophenoxy)methyl]-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-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

F913-0052

Molecular Formula

C22H21ClN4O4S (C22 H21 ClN4 O4 S)

Compound Name

5-[(4-chlorophenoxy)methyl]-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-[(4-chlorophenoxy)methyl]-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-134-thiadiazole-2-carboxamide

SMILES

O=C(c1nnc(COc(cc2)ccc2Cl)s1)Nc(cc1)ccc1C(NCC1OCCC1)=O

InChI

InChI=1S/C22H21ClN4O4S/c23-15-5-9-17(10-6-15)31-13-19-26-27-22(32-19)21(29)25-16-7-3-14(4-8-16)20(28)24-12-18-2-1-11-30-18/h3-10,18H,1-2,11-13H2,(H,24,28)(H,25,29)/t18-/m1/s1

InChI Key

HEMNVKATHJGRGR-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14970711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.922

Distribution Coefficient, logD

2.915

Water Solubility, LogSw

-3.84

Polar Surface Area

87.624

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

F913-0052 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with F913-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F913-0052?
Check Price and Availability of F913-0052, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F913-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F913-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F913-0052
  • 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 F913-0052 available by request