C291-0074 Screening compound: 4-[4-(ACETYLAMINO)PHENYL]-3-AMINO-N-(SEC-BUTYL)-N-(2,4-DIMETHYLPHENYL)-6-METHYLTHIENO[2,3-B]PYRIDINE-2,5-DICARBOXAMIDE

C291-0074 Screening compound: 4-[4-(ACETYLAMINO)PHENYL]-3-AMINO-N-(SEC-BUTYL)-N-(2,4-DIMETHYLPHENYL)-6-METHYLTHIENO[2,3-B]PYRIDINE-2,5-DICARBOXAMIDE
C291-0074 Screening compound: 4-[4-(ACETYLAMINO)PHENYL]-3-AMINO-N-(SEC-BUTYL)-N-(2,4-DIMETHYLPHENYL)-6-METHYLTHIENO[2,3-B]PYRIDINE-2,5-DICARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C291-0074
4-[4-(ACETYLAMINO)PHENYL]-3-AMINO-N-(SEC-BUTYL)-N-(2,4-DIMETHYLPHENYL)-6-METHYLTHIENO[2,3-B]PYRIDINE-2,5-DICARBOXAMIDE

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

C291-0074

Molecular Formula

C30H33N5O3S (C30 H33 N5 O3 S)

Compound Name

4-[4-(ACETYLAMINO)PHENYL]-3-AMINO-N-(SEC-BUTYL)-N-(2,4-DIMETHYLPHENYL)-6-METHYLTHIENO[2,3-B]PYRIDINE-2,5-DICARBOXAMIDE

IUPAC name

n/a

SMILES

CCC(C)NC(c(sc1nc(C)c(C(Nc2c(C)cc(C)cc2)=O)c(-c(cc2)ccc2NC(C)=O)c11)c1N)=O

InChI

InChI=1S/C30H33N5O3S/c1-7-17(4)32-29(38)27-26(31)25-24(20-9-11-21(12-10-20)34-19(6)36)23(18(5)33-30(25)39-27)28(37)35-22-13-8-15(2)14-16(22)3/h8-14,17H,7,31H2,1-6H3,(H,32,38)(H,34,36)(H,35,37)/t17-/m0/s1

InChI Key

CMVADEVKRBVJFL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27641785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.046

Distribution Coefficient, logD

5.046

Water Solubility, LogSw

-5.02

Polar Surface Area

99.432

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.00

C291-0074 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C291-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C291-0074?
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What is the minimum amount of C291-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C291-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C291-0074
  • 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 C291-0074 available by request