V014-6474 Screening compound: N2-[5-(3-BROMOPHENYL)-1,3,4-THIADIAZOL-2-YL]-N1-(3-METHOXYPHENYL)PYRROLIDINE-1,2-DICARBOXAMIDE

V014-6474 Screening compound: N2-[5-(3-BROMOPHENYL)-1,3,4-THIADIAZOL-2-YL]-N1-(3-METHOXYPHENYL)PYRROLIDINE-1,2-DICARBOXAMIDE
V014-6474 Screening compound: N2-[5-(3-BROMOPHENYL)-1,3,4-THIADIAZOL-2-YL]-N1-(3-METHOXYPHENYL)PYRROLIDINE-1,2-DICARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-6474
N2-[5-(3-BROMOPHENYL)-1,3,4-THIADIAZOL-2-YL]-N1-(3-METHOXYPHENYL)PYRROLIDINE-1,2-DICARBOXAMIDE

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

V014-6474

Molecular Formula

C21H20BrN5O3S (C21 H20 BrN5 O3 S)

Compound Name

N2-[5-(3-BROMOPHENYL)-1,3,4-THIADIAZOL-2-YL]-N1-(3-METHOXYPHENYL)PYRROLIDINE-1,2-DICARBOXAMIDE

IUPAC name

n/a

SMILES

COc1cccc(NC(N(CCC2)C2C(Nc2nnc(-c3cccc(Br)c3)s2)=O)=O)c1

InChI

InChI=1S/C21H20BrN5O3S/c1-30-16-8-3-7-15(12-16)23-21(29)27-10-4-9-17(27)18(28)24-20-26-25-19(31-20)13-5-2-6-14(22)11-13/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,23,29)(H,24,26,28)/t17-/m0/s1

InChI Key

ISWGVGZSFGSGTM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14242124

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

502.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.565

Distribution Coefficient, logD

4.564

Water Solubility, LogSw

-4.34

Polar Surface Area

79.676

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

V014-6474 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 V014-6474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-6474?
Check Price and Availability of V014-6474, 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 V014-6474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-6474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-6474
  • 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 V014-6474 available by request