V017-6442 Screening compound: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-{[(2-bromophenyl)carbamoyl]amino}-3-phenylpropanamide

V017-6442 Screening compound: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-{[(2-bromophenyl)carbamoyl]amino}-3-phenylpropanamide
V017-6442 Screening compound: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-{[(2-bromophenyl)carbamoyl]amino}-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-6442
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-{[(2-bromophenyl)carbamoyl]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

V017-6442

Molecular Formula

C24H19Br2N5O2S (C24 H19 Br2 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(Cc1ccccc1)NC(Nc(cccc1)c1Br)=O)Nc1nnc(-c(cc2)ccc2Br)s1

InChI

InChI=1S/C24H19Br2N5O2S/c25-17-12-10-16(11-13-17)22-30-31-24(34-22)29-21(32)20(14-15-6-2-1-3-7-15)28-23(33)27-19-9-5-4-8-18(19)26/h1-13,20H,14H2,(H2,27,28,33)(H,29,31,32)/t20-/m0/s1

InChI Key

NLYPQWONGPJGSQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14242056

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

601.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.076

Distribution Coefficient, logD

6.076

Water Solubility, LogSw

-6.04

Polar Surface Area

79.161

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.33

V017-6442 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V017-6442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-6442?
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What is the minimum amount of V017-6442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-6442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-6442
  • 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 V017-6442 available by request