3202-0057 Screening compound: N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-4-butoxybenzamide

3202-0057 Screening compound: N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-4-butoxybenzamide
3202-0057 Screening compound: N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-4-butoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3202-0057
N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-4-butoxybenzamide

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

3202-0057

Molecular Formula

C23H29N3O2S (C23 H29 N3 O2 S)

Compound Name

N-[5-(adamantan-1-yl)-1,3,4-thiadiazol-2-yl]-4-butoxybenzamide

IUPAC name

N-[5-(adamantan-1-yl)-134-thiadiazol-2-yl]-4-butoxybenzamide

SMILES

CCCCOc(cc1)ccc1C(Nc1nnc(C2(CC(C3)C4)CC4CC3C2)s1)=O

InChI

InChI=1S/C23H29N3O2S/c1-2-3-8-28-19-6-4-18(5-7-19)20(27)24-22-26-25-21(29-22)23-12-15-9-16(13-23)11-17(10-15)14-23/h4-7,15-17H,2-3,8-14H2,1H3,(H,24,26,27)

InChI Key

YBJVGBOVCZTIGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.855

Distribution Coefficient, logD

6.374

Water Solubility, LogSw

-5.64

Polar Surface Area

54.054

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

3202-0057 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3202-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3202-0057?
Check Price and Availability of 3202-0057, 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 3202-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3202-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3202-0057
  • 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 3202-0057 available by request