C200-0393 Screening compound: methyl 2-[3-amino-4-(4-bromophenyl)-5-[(2,4-dimethylphenyl)carbamoyl]-6-methylthieno[2,3-b]pyridine-2-amido]benzoate

C200-0393 Screening compound: methyl 2-[3-amino-4-(4-bromophenyl)-5-[(2,4-dimethylphenyl)carbamoyl]-6-methylthieno[2,3-b]pyridine-2-amido]benzoate
C200-0393 Screening compound: methyl 2-[3-amino-4-(4-bromophenyl)-5-[(2,4-dimethylphenyl)carbamoyl]-6-methylthieno[2,3-b]pyridine-2-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-0393
methyl 2-[3-amino-4-(4-bromophenyl)-5-[(2,4-dimethylphenyl)carbamoyl]-6-methylthieno[2,3-b]pyridine-2-amido]benzoate

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

C200-0393

Molecular Formula

C32H27BrN4O4S (C32 H27 BrN4 O4 S)

Compound Name

methyl 2-[3-amino-4-(4-bromophenyl)-5-[(2,4-dimethylphenyl)carbamoyl]-6-methylthieno[2,3-b]pyridine-2-amido]benzoate

IUPAC name

methyl 2-[3-amino-4-(4-bromophenyl)-5-[(24-dimethylphenyl)carbamoyl]-6-methylthieno[23-b]pyridine-2-amido]benzoate

SMILES

Cc(cc1)cc(C)c1NC(c(c(C)nc1c2c(N)c(C(Nc(cccc3)c3C(OC)=O)=O)s1)c2-c(cc1)ccc1Br)=O

InChI

InChI=1S/C32H27BrN4O4S/c1-16-9-14-22(17(2)15-16)36-29(38)24-18(3)35-31-26(25(24)19-10-12-20(33)13-11-19)27(34)28(42-31)30(39)37-23-8-6-5-7-21(23)32(40)41-4/h5-15H,34H2,1-4H3,(H,36,38)(H,37,39)

InChI Key

FDDVIJKKYYSQMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

643.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.498

Distribution Coefficient, logD

7.465

Water Solubility, LogSw

-5.94

Polar Surface Area

95.611

Acid Dissociation Constant (pKa)

8.50

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C200-0393 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C200-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-0393?
Check Price and Availability of C200-0393, 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 C200-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-0393
  • 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 C200-0393 available by request