V005-9506 Screening compound: 3-[1-(3-bromophenyl)-N-propylformamido]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide

V005-9506 Screening compound: 3-[1-(3-bromophenyl)-N-propylformamido]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide
V005-9506 Screening compound: 3-[1-(3-bromophenyl)-N-propylformamido]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-9506
3-[1-(3-bromophenyl)-N-propylformamido]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide

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

V005-9506

Molecular Formula

C21H20BrClN4O2S (C21 H20 BrClN4 O2 S)

Compound Name

3-[1-(3-bromophenyl)-N-propylformamido]-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide

IUPAC name

3-[1-(3-bromophenyl)-N-propylformamido]-N-[5-(4-chlorophenyl)-134-thiadiazol-2-yl]propanamide

SMILES

CCCN(CCC(Nc1nnc(-c(cc2)ccc2Cl)s1)=O)C(c1cccc(Br)c1)=O

InChI

InChI=1S/C21H20BrClN4O2S/c1-2-11-27(20(29)15-4-3-5-16(22)13-15)12-10-18(28)24-21-26-25-19(30-21)14-6-8-17(23)9-7-14/h3-9,13H,2,10-12H2,1H3,(H,24,26,28)

InChI Key

HCXABBQAWAPHHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19714334

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

507.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.125

Distribution Coefficient, logD

5.124

Water Solubility, LogSw

-5.63

Polar Surface Area

62.829

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with V005-9506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-9506?
Check Price and Availability of V005-9506, 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 V005-9506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-9506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-9506
  • 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 V005-9506 available by request