K408-0495 Screening compound: ethyl 4-(4-{[3-(methoxycarbonyl)-6-(propan-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate

K408-0495 Screening compound: ethyl 4-(4-{[3-(methoxycarbonyl)-6-(propan-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate
K408-0495 Screening compound: ethyl 4-(4-{[3-(methoxycarbonyl)-6-(propan-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K408-0495
ethyl 4-(4-{[3-(methoxycarbonyl)-6-(propan-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]carbamoyl}benzenesulfonyl)piperazine-1-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

K408-0495

Molecular Formula

C26H34N4O7S2 (C26 H34 N4 O7 S2)

Compound Name

ethyl 4-(4-{[3-(methoxycarbonyl)-6-(propan-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate

IUPAC name

ethyl 4-(4-{[3-(methoxycarbonyl)-6-(propan-2-yl)-4H5H6H7H-thieno[23-c]pyridin-2-yl]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1S(c(cc1)ccc1C(Nc1c(C(OC)=O)c(CCN(C2)C(C)C)c2s1)=O)(=O)=O)=O

InChI

InChI=1S/C26H34N4O7S2/c1-5-37-26(33)28-12-14-30(15-13-28)39(34,35)19-8-6-18(7-9-19)23(31)27-24-22(25(32)36-4)20-10-11-29(17(2)3)16-21(20)38-24/h6-9,17H,5,10-16H2,1-4H3,(H,27,31)

InChI Key

LHLCRFMJFMTZRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05017467

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

578.71

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.159

Distribution Coefficient, logD

-1.506

Water Solubility, LogSw

-3.56

Polar Surface Area

102.507

Acid Dissociation Constant (pKa)

3.24

Base Dissociation Constant (pKb)

6.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with K408-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K408-0495?
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What is the minimum amount of K408-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K408-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K408-0495
  • 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 K408-0495 available by request