D175-0059 Screening compound: 1,3-dimethyl-5-[({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one

D175-0059 Screening compound: 1,3-dimethyl-5-[({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
D175-0059 Screening compound: 1,3-dimethyl-5-[({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D175-0059
1,3-dimethyl-5-[({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

D175-0059

Molecular Formula

C14H19N7OS (C14 H19 N7 OS)

Compound Name

1,3-dimethyl-5-[({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

13-dimethyl-5-[({2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CN(c(ccc(CNCCSc1nnnn1C)c1)c1N1C)C1=O

InChI

InChI=1S/C14H19N7OS/c1-19-11-5-4-10(8-12(11)20(2)14(19)22)9-15-6-7-23-13-16-17-18-21(13)3/h4-5,8,15H,6-7,9H2,1-3H3

InChI Key

SRHDWNCSCJQQBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06752506

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

333.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.271

Distribution Coefficient, logD

-4.255

Water Solubility, LogSw

-2.29

Polar Surface Area

69.874

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

11.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D175-0059 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D175-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D175-0059?
Check Price and Availability of D175-0059, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D175-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D175-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D175-0059
  • 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 D175-0059 available by request