V017-4399 Screening compound: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-butoxyphenyl)formamido]-3-methylpentanamide

V017-4399 Screening compound: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-butoxyphenyl)formamido]-3-methylpentanamide
V017-4399 Screening compound: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-butoxyphenyl)formamido]-3-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-4399
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-butoxyphenyl)formamido]-3-methylpentanamide

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

V017-4399

Molecular Formula

C25H29BrN4O3S (C25 H29 BrN4 O3 S)

Compound Name

N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-butoxyphenyl)formamido]-3-methylpentanamide

IUPAC name

N-[5-(4-bromophenyl)-134-thiadiazol-2-yl]-2-[(4-butoxyphenyl)formamido]-3-methylpentanamide

SMILES

CCCCOc(cc1)ccc1C(NC(C(C)CC)C(Nc1nnc(-c(cc2)ccc2Br)s1)=O)=O

InChI

InChI=1S/C25H29BrN4O3S/c1-4-6-15-33-20-13-9-17(10-14-20)22(31)27-21(16(3)5-2)23(32)28-25-30-29-24(34-25)18-7-11-19(26)12-8-18/h7-14,16,21H,4-6,15H2,1-3H3,(H,27,31)(H,28,30,32)

InChI Key

GZENAQCIPQMVFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14241957

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

545.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.130

Distribution Coefficient, logD

7.130

Water Solubility, LogSw

-5.62

Polar Surface Area

78.058

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.00

V017-4399 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 V017-4399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4399?
Check Price and Availability of V017-4399, 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 V017-4399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4399
  • 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 V017-4399 available by request