G856-9905 Screening compound: N-(4-bromophenyl)-2-({5-[(tert-butylcarbamoyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide

G856-9905 Screening compound: N-(4-bromophenyl)-2-({5-[(tert-butylcarbamoyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide
G856-9905 Screening compound: N-(4-bromophenyl)-2-({5-[(tert-butylcarbamoyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-9905
N-(4-bromophenyl)-2-({5-[(tert-butylcarbamoyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide

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

G856-9905

Molecular Formula

C15H18BrN5O2S2 (C15 H18 BrN5 O2 S2)

Compound Name

N-(4-bromophenyl)-2-({5-[(tert-butylcarbamoyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide

IUPAC name

N-(4-bromophenyl)-2-({5-[(tert-butylcarbamoyl)amino]-134-thiadiazol-2-yl}sulfanyl)acetamide

SMILES

CC(C)(C)NC(Nc1nnc(SCC(Nc(cc2)ccc2Br)=O)s1)=O

InChI

InChI=1S/C15H18BrN5O2S2/c1-15(2,3)19-12(23)18-13-20-21-14(25-13)24-8-11(22)17-10-6-4-9(16)5-7-10/h4-7H,8H2,1-3H3,(H,17,22)(H2,18,19,20,23)

InChI Key

FRGFXCAUWQHPMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07196265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.598

Distribution Coefficient, logD

4.598

Water Solubility, LogSw

-4.32

Polar Surface Area

78.743

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G856-9905 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G856-9905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-9905?
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What is the minimum amount of G856-9905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-9905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-9905
  • 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 G856-9905 available by request