C200-6660 Screening compound: methyl 3-(2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)thiophene-2-carboxylate

C200-6660 Screening compound: methyl 3-(2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)thiophene-2-carboxylate
C200-6660 Screening compound: methyl 3-(2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6660
methyl 3-(2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)thiophene-2-carboxylate

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

C200-6660

Molecular Formula

C24H21N3O4S2 (C24 H21 N3 O4 S2)

Compound Name

methyl 3-(2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)thiophene-2-carboxylate

IUPAC name

methyl 3-(2-{[4-(3-methoxyphenyl)-3H-15-benzodiazepin-2-yl]sulfanyl}acetamido)thiophene-2-carboxylate

SMILES

COC(c(scc1)c1NC(CSC(C1)=Nc(cccc2)c2N=C1c1cc(OC)ccc1)=O)=O

InChI

InChI=1S/C24H21N3O4S2/c1-30-16-7-5-6-15(12-16)20-13-22(27-18-9-4-3-8-17(18)25-20)33-14-21(28)26-19-10-11-32-23(19)24(29)31-2/h3-12H,13-14H2,1-2H3,(H,26,28)

InChI Key

ZEYSZPBMGUDRDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.129

Distribution Coefficient, logD

4.092

Water Solubility, LogSw

-4.33

Polar Surface Area

70.377

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C200-6660 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C200-6660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6660?
Check Price and Availability of C200-6660, 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 C200-6660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6660
  • 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 C200-6660 available by request