Y043-4175 Screening compound: (2R)-N-(2-isopropyl-1-methyl-1H-1,3-benzimidazol-5-yl)-2-phenyl-2-(1H-1,2,3,4-tetraazol-1-yl)ethanamide

Y043-4175 Screening compound: (2R)-N-(2-isopropyl-1-methyl-1H-1,3-benzimidazol-5-yl)-2-phenyl-2-(1H-1,2,3,4-tetraazol-1-yl)ethanamide
Y043-4175 Screening compound: (2R)-N-(2-isopropyl-1-methyl-1H-1,3-benzimidazol-5-yl)-2-phenyl-2-(1H-1,2,3,4-tetraazol-1-yl)ethanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-4175
(2R)-N-(2-isopropyl-1-methyl-1H-1,3-benzimidazol-5-yl)-2-phenyl-2-(1H-1,2,3,4-tetraazol-1-yl)ethanamide

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

Y043-4175

Molecular Formula

C20H21N7O (C20 H21 N7 O)

Compound Name

(2R)-N-(2-isopropyl-1-methyl-1H-1,3-benzimidazol-5-yl)-2-phenyl-2-(1H-1,2,3,4-tetraazol-1-yl)ethanamide

IUPAC name

(2R)-N-[1-methyl-2-(propan-2-yl)-1H-13-benzodiazol-5-yl]-2-phenyl-2-(1H-1234-tetrazol-1-yl)acetamide

SMILES

CC(C)c1nc(cc(cc2)NC(C(c3ccccc3)n3nnnc3)=O)c2n1C

InChI

InChI=1S/C20H21N7O/c1-13(2)19-23-16-11-15(9-10-17(16)26(19)3)22-20(28)18(27-12-21-24-25-27)14-7-5-4-6-8-14/h4-13,18H,1-3H3,(H,22,28)/t18-/m1/s1

InChI Key

HBKBQSDUDRZMSQ-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.239

Distribution Coefficient, logD

3.035

Water Solubility, LogSw

-3.59

Polar Surface Area

73.678

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y043-4175 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with Y043-4175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-4175?
Check Price and Availability of Y043-4175, 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 Y043-4175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-4175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-4175
  • 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 Y043-4175 available by request