Y031-9321 Screening compound: 4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(4,6-dimethyl-2-pyrimidinyl)butanamide

Y031-9321 Screening compound: 4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(4,6-dimethyl-2-pyrimidinyl)butanamide
Y031-9321 Screening compound: 4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(4,6-dimethyl-2-pyrimidinyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9321
4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(4,6-dimethyl-2-pyrimidinyl)butanamide

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

Y031-9321

Molecular Formula

C26H25Cl4N3O4 (C26 H25 Cl4 N3 O4)

Compound Name

4-(2,4-dichlorophenoxy)-N-[4-(2,4-dichlorophenoxy)butanoyl]-N-(4,6-dimethyl-2-pyrimidinyl)butanamide

IUPAC name

4-(24-dichlorophenoxy)-N-[4-(24-dichlorophenoxy)butanoyl]-N-(46-dimethylpyrimidin-2-yl)butanamide

SMILES

Cc1nc(N(C(CCCOc(ccc(Cl)c2)c2Cl)=O)C(CCCOc(ccc(Cl)c2)c2Cl)=O)nc(C)c1

InChI

InChI=1S/C26H25Cl4N3O4/c1-16-13-17(2)32-26(31-16)33(24(34)5-3-11-36-22-9-7-18(27)14-20(22)29)25(35)6-4-12-37-23-10-8-19(28)15-21(23)30/h7-10,13-15H,3-6,11-12H2,1-2H3

InChI Key

VXTSUNBIZYFKMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09271374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.883

Distribution Coefficient, logD

5.883

Water Solubility, LogSw

-5.93

Polar Surface Area

59.370

Acid Dissociation Constant (pKa)

21.14

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

Y031-9321 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with Y031-9321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9321?
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What is the minimum amount of Y031-9321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9321
  • 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 Y031-9321 available by request