G856-9877 Screening compound: 1-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-tert-butylurea

G856-9877 Screening compound: 1-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-tert-butylurea
G856-9877 Screening compound: 1-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-tert-butylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-9877
1-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-tert-butylurea

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

G856-9877

Molecular Formula

C15H25N5O2S2 (C15 H25 N5 O2 S2)

Compound Name

1-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-tert-butylurea

IUPAC name

1-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-134-thiadiazol-2-yl)-3-tert-butylurea

SMILES

CC(C)(C)NC(Nc1nnc(SCC(N2CCCCCC2)=O)s1)=O

InChI

InChI=1S/C15H25N5O2S2/c1-15(2,3)17-12(22)16-13-18-19-14(24-13)23-10-11(21)20-8-6-4-5-7-9-20/h4-10H2,1-3H3,(H2,16,17,18,22)

InChI Key

HMBPJAXUSDNUJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07196209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.523

Distribution Coefficient, logD

3.523

Water Solubility, LogSw

-3.67

Polar Surface Area

72.317

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.30

G856-9877 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 G856-9877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-9877?
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What is the minimum amount of G856-9877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-9877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-9877
  • 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 G856-9877 available by request