V018-3158 Screening compound: N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-{[(2-bromophenyl)carbamoyl]amino}-3-phenylpropanamide

V018-3158 Screening compound: N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-{[(2-bromophenyl)carbamoyl]amino}-3-phenylpropanamide
V018-3158 Screening compound: N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-{[(2-bromophenyl)carbamoyl]amino}-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-3158
N-[5-(2H-1,3-benzodioxol-5-yl)-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

V018-3158

Molecular Formula

C25H20BrN5O4S (C25 H20 BrN5 O4 S)

Compound Name

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

IUPAC name

N-[5-(2H-13-benzodioxol-5-yl)-134-thiadiazol-2-yl]-2-{[(2-bromophenyl)carbamoyl]amino}-3-phenylpropanamide

SMILES

O=C(C(Cc1ccccc1)NC(Nc(cccc1)c1Br)=O)Nc1nnc(-c(cc2)cc3c2OCO3)s1

InChI

InChI=1S/C25H20BrN5O4S/c26-17-8-4-5-9-18(17)27-24(33)28-19(12-15-6-2-1-3-7-15)22(32)29-25-31-30-23(36-25)16-10-11-20-21(13-16)35-14-34-20/h1-11,13,19H,12,14H2,(H2,27,28,33)(H,29,31,32)/t19-/m0/s1

InChI Key

TVFRBYUGWQOZPF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14243048

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

566.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.145

Distribution Coefficient, logD

5.145

Water Solubility, LogSw

-5.53

Polar Surface Area

96.276

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

V018-3158 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 V018-3158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-3158?
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What is the minimum amount of V018-3158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-3158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-3158
  • 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 V018-3158 available by request