K906-1127 Screening compound: N-(1-benzylpiperidin-4-yl)-2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-4-(methylsulfanyl)butanamide

K906-1127 Screening compound: N-(1-benzylpiperidin-4-yl)-2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-4-(methylsulfanyl)butanamide
K906-1127 Screening compound: N-(1-benzylpiperidin-4-yl)-2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-4-(methylsulfanyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-1127
N-(1-benzylpiperidin-4-yl)-2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-4-(methylsulfanyl)butanamide

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

K906-1127

Molecular Formula

C27H35N5O5S2 (C27 H35 N5 O5 S2)

Compound Name

N-(1-benzylpiperidin-4-yl)-2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-4-(methylsulfanyl)butanamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-2-(13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)-4-(methylsulfanyl)butanamide

SMILES

CN(c(ccc(S(NC(CCSC)C(NC1CCN(Cc2ccccc2)CC1)=O)(=O)=O)c1)c1C(N1C)=O)C1=O

InChI

InChI=1S/C27H35N5O5S2/c1-30-24-10-9-21(17-22(24)26(34)31(2)27(30)35)39(36,37)29-23(13-16-38-3)25(33)28-20-11-14-32(15-12-20)18-19-7-5-4-6-8-19/h4-10,17,20,23,29H,11-16,18H2,1-3H3,(H,28,33)/t23-/m0/s1

InChI Key

IKEQYHAZMQTKSN-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15112281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

573.74

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.787

Distribution Coefficient, logD

1.229

Water Solubility, LogSw

-3.66

Polar Surface Area

100.894

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

K906-1127 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K906-1127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-1127?
Check Price and Availability of K906-1127, 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 K906-1127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-1127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-1127
  • 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 K906-1127 available by request