Y042-5935 Screening compound: (2-bromo-5-isopropyl-1,3-thiazol-4-yl)[4-(1-methyl-1H-1,3-benzimidazol-2-yl)piperazino]methanone

Y042-5935 Screening compound: (2-bromo-5-isopropyl-1,3-thiazol-4-yl)[4-(1-methyl-1H-1,3-benzimidazol-2-yl)piperazino]methanone
Y042-5935 Screening compound: (2-bromo-5-isopropyl-1,3-thiazol-4-yl)[4-(1-methyl-1H-1,3-benzimidazol-2-yl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-5935
(2-bromo-5-isopropyl-1,3-thiazol-4-yl)[4-(1-methyl-1H-1,3-benzimidazol-2-yl)piperazino]methanone

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

Y042-5935

Molecular Formula

C19H22BrN5OS (C19 H22 BrN5 OS)

Compound Name

(2-bromo-5-isopropyl-1,3-thiazol-4-yl)[4-(1-methyl-1H-1,3-benzimidazol-2-yl)piperazino]methanone

IUPAC name

2-{4-[2-bromo-5-(propan-2-yl)-13-thiazole-4-carbonyl]piperazin-1-yl}-1-methyl-1H-13-benzodiazole

SMILES

CC(C)c(s1)c(C(N(CC2)CCN2c2nc(cccc3)c3n2C)=O)nc1Br

InChI

InChI=1S/C19H22BrN5OS/c1-12(2)16-15(22-18(20)27-16)17(26)24-8-10-25(11-9-24)19-21-13-6-4-5-7-14(13)23(19)3/h4-7,12H,8-11H2,1-3H3

InChI Key

BWRYMGIZDRINFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23137658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.315

Distribution Coefficient, logD

4.042

Water Solubility, LogSw

-4.17

Polar Surface Area

41.824

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

7.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

Y042-5935 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y042-5935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-5935?
Check Price and Availability of Y042-5935, 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 Y042-5935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-5935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-5935
  • 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 Y042-5935 available by request