V012-0457 Screening compound: N~1~-{5-[(4-bromo-2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(tert-butyl)benzamide

V012-0457 Screening compound: N~1~-{5-[(4-bromo-2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(tert-butyl)benzamide
V012-0457 Screening compound: N~1~-{5-[(4-bromo-2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(tert-butyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0457
N~1~-{5-[(4-bromo-2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(tert-butyl)benzamide

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

V012-0457

Molecular Formula

C20H19BrFN3OS2 (C20 H19 BrFN3 OS2)

Compound Name

N~1~-{5-[(4-bromo-2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(tert-butyl)benzamide

IUPAC name

N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)-4-tert-butylbenzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1nnc(SCc(ccc(Br)c2)c2F)s1)=O

InChI

InChI=1S/C20H19BrFN3OS2/c1-20(2,3)14-7-4-12(5-8-14)17(26)23-18-24-25-19(28-18)27-11-13-6-9-15(21)10-16(13)22/h4-10H,11H2,1-3H3,(H,23,24,26)

InChI Key

LKANGKHQVWNZEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857895

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

480.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.375

Distribution Coefficient, logD

7.319

Water Solubility, LogSw

-5.60

Polar Surface Area

45.964

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V012-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0457?
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What is the minimum amount of V012-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0457
  • 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 V012-0457 available by request