V012-4856 Screening compound: 1-(4-BROMOBENZOYL)-N-(5-PHENYL-1,3,4-THIADIAZOL-2-YL)PYRROLIDINE-2-CARBOXAMIDE

V012-4856 Screening compound: 1-(4-BROMOBENZOYL)-N-(5-PHENYL-1,3,4-THIADIAZOL-2-YL)PYRROLIDINE-2-CARBOXAMIDE
V012-4856 Screening compound: 1-(4-BROMOBENZOYL)-N-(5-PHENYL-1,3,4-THIADIAZOL-2-YL)PYRROLIDINE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-4856
1-(4-BROMOBENZOYL)-N-(5-PHENYL-1,3,4-THIADIAZOL-2-YL)PYRROLIDINE-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

V012-4856

Molecular Formula

C20H17BrN4O2S (C20 H17 BrN4 O2 S)

Compound Name

1-(4-BROMOBENZOYL)-N-(5-PHENYL-1,3,4-THIADIAZOL-2-YL)PYRROLIDINE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(C(CCC1)N1C(c(cc1)ccc1Br)=O)Nc1nnc(-c2ccccc2)s1

InChI

InChI=1S/C20H17BrN4O2S/c21-15-10-8-14(9-11-15)19(27)25-12-4-7-16(25)17(26)22-20-24-23-18(28-20)13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2,(H,22,24,26)/t16-/m0/s1

InChI Key

BJXMJHUGRCFRBG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14241900

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

457.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.234

Distribution Coefficient, logD

4.233

Water Solubility, LogSw

-4.21

Polar Surface Area

63.311

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

V012-4856 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V012-4856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-4856?
Check Price and Availability of V012-4856, 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 V012-4856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-4856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-4856
  • 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 V012-4856 available by request