V017-5691 Screening compound: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(butylcarbamoyl)amino]-3-phenylpropanamide

V017-5691 Screening compound: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(butylcarbamoyl)amino]-3-phenylpropanamide
V017-5691 Screening compound: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(butylcarbamoyl)amino]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-5691
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(butylcarbamoyl)amino]-3-phenylpropanamide

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

V017-5691

Molecular Formula

C22H24BrN5O2S (C22 H24 BrN5 O2 S)

Compound Name

N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(butylcarbamoyl)amino]-3-phenylpropanamide

IUPAC name

N-[5-(4-bromophenyl)-134-thiadiazol-2-yl]-2-[(butylcarbamoyl)amino]-3-phenylpropanamide

SMILES

CCCCNC(NC(Cc1ccccc1)C(Nc1nnc(-c(cc2)ccc2Br)s1)=O)=O

InChI

InChI=1S/C22H24BrN5O2S/c1-2-3-13-24-21(30)25-18(14-15-7-5-4-6-8-15)19(29)26-22-28-27-20(31-22)16-9-11-17(23)12-10-16/h4-12,18H,2-3,13-14H2,1H3,(H2,24,25,30)(H,26,28,29)/t18-/m0/s1

InChI Key

LRQHMGLLGDPOMT-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14242054

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

502.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.312

Distribution Coefficient, logD

5.312

Water Solubility, LogSw

-5.20

Polar Surface Area

81.294

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

V017-5691 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V017-5691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-5691?
Check Price and Availability of V017-5691, 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 V017-5691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-5691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-5691
  • 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 V017-5691 available by request