V030-6419 Screening compound: N-(1-{[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-2-phenylethyl)octanamide

V030-6419 Screening compound: N-(1-{[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-2-phenylethyl)octanamide
V030-6419 Screening compound: N-(1-{[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-2-phenylethyl)octanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6419
N-(1-{[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-2-phenylethyl)octanamide

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

V030-6419

Molecular Formula

C25H29BrN4O2S (C25 H29 BrN4 O2 S)

Compound Name

N-(1-{[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-2-phenylethyl)octanamide

IUPAC name

N-(1-{[5-(4-bromophenyl)-134-thiadiazol-2-yl]carbamoyl}-2-phenylethyl)octanamide

SMILES

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

InChI

InChI=1S/C25H29BrN4O2S/c1-2-3-4-5-9-12-22(31)27-21(17-18-10-7-6-8-11-18)23(32)28-25-30-29-24(33-25)19-13-15-20(26)16-14-19/h6-8,10-11,13-16,21H,2-5,9,12,17H2,1H3,(H,27,31)(H,28,30,32)/t21-/m0/s1

InChI Key

HATRMNYAKSRJNG-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19720482

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

529.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.019

Distribution Coefficient, logD

7.018

Water Solubility, LogSw

-5.72

Polar Surface Area

70.705

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with V030-6419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6419?
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What is the minimum amount of V030-6419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6419
  • 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 V030-6419 available by request