V031-1757 Screening compound: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(2,2-dimethylpropanamido)-3-methylpentanamide

V031-1757 Screening compound: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(2,2-dimethylpropanamido)-3-methylpentanamide
V031-1757 Screening compound: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(2,2-dimethylpropanamido)-3-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1757
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(2,2-dimethylpropanamido)-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

V031-1757

Molecular Formula

C19H25BrN4O2S (C19 H25 BrN4 O2 S)

Compound Name

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

IUPAC name

N-[5-(4-bromophenyl)-134-thiadiazol-2-yl]-2-(22-dimethylpropanamido)-3-methylpentanamide

SMILES

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

InChI

InChI=1S/C19H25BrN4O2S/c1-6-11(2)14(21-17(26)19(3,4)5)15(25)22-18-24-23-16(27-18)12-7-9-13(20)10-8-12/h7-11,14H,6H2,1-5H3,(H,21,26)(H,22,24,25)

InChI Key

AZVNEWAUCMRWCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19720518

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

453.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.429

Distribution Coefficient, logD

5.428

Water Solubility, LogSw

-5.35

Polar Surface Area

70.912

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.40

V031-1757 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V031-1757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1757?
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What is the minimum amount of V031-1757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1757
  • 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 V031-1757 available by request