K894-1041 Screening compound: 1-(2,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-2-methyl-1H-1,3-benzodiazole-5-carboxamide

K894-1041 Screening compound: 1-(2,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-2-methyl-1H-1,3-benzodiazole-5-carboxamide
K894-1041 Screening compound: 1-(2,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-2-methyl-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K894-1041
1-(2,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-2-methyl-1H-1,3-benzodiazole-5-carboxamide

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

K894-1041

Molecular Formula

C19H19F2N3O3 (C19 H19 F2 N3 O3)

Compound Name

1-(2,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-2-methyl-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

1-(24-difluorophenyl)-N-(22-dimethoxyethyl)-2-methyl-1H-13-benzodiazole-5-carboxamide

SMILES

Cc1nc(cc(cc2)C(NCC(OC)OC)=O)c2n1-c(ccc(F)c1)c1F

InChI

InChI=1S/C19H19F2N3O3/c1-11-23-15-8-12(19(25)22-10-18(26-2)27-3)4-6-17(15)24(11)16-7-5-13(20)9-14(16)21/h4-9,18H,10H2,1-3H3,(H,22,25)

InChI Key

LMVBHALJACQEMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.804

Distribution Coefficient, logD

1.802

Water Solubility, LogSw

-2.21

Polar Surface Area

51.566

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

K894-1041 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K894-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K894-1041?
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What is the minimum amount of K894-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K894-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K894-1041
  • 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 K894-1041 available by request