G589-0164 Screening compound: methyl 3-({4-[(1-methyl-1H-indol-5-yl)sulfonyl]piperazine-1-carbonyl}amino)thiophene-2-carboxylate

G589-0164 Screening compound: methyl 3-({4-[(1-methyl-1H-indol-5-yl)sulfonyl]piperazine-1-carbonyl}amino)thiophene-2-carboxylate
G589-0164 Screening compound: methyl 3-({4-[(1-methyl-1H-indol-5-yl)sulfonyl]piperazine-1-carbonyl}amino)thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G589-0164
methyl 3-({4-[(1-methyl-1H-indol-5-yl)sulfonyl]piperazine-1-carbonyl}amino)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

G589-0164

Molecular Formula

C20H22N4O5S2 (C20 H22 N4 O5 S2)

Compound Name

methyl 3-({4-[(1-methyl-1H-indol-5-yl)sulfonyl]piperazine-1-carbonyl}amino)thiophene-2-carboxylate

IUPAC name

methyl 3-({4-[(1-methyl-1H-indol-5-yl)sulfonyl]piperazine-1-carbonyl}amino)thiophene-2-carboxylate

SMILES

Cn(cc1)c(cc2)c1cc2S(N(CC1)CCN1C(Nc1c(C(OC)=O)scc1)=O)(=O)=O

InChI

InChI=1S/C20H22N4O5S2/c1-22-7-5-14-13-15(3-4-17(14)22)31(27,28)24-10-8-23(9-11-24)20(26)21-16-6-12-30-18(16)19(25)29-2/h3-7,12-13H,8-11H2,1-2H3,(H,21,26)

InChI Key

DFNFFYZWTRUKIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15021576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.545

Distribution Coefficient, logD

2.543

Water Solubility, LogSw

-3.16

Polar Surface Area

81.387

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G589-0164 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G589-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G589-0164?
Check Price and Availability of G589-0164, 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 G589-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G589-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G589-0164
  • 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 G589-0164 available by request