Y502-6445 Screening compound: ethyl 6-ethyl-2-[(2-{[4-(2-naphthyl)-2-pyrimidinyl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Y502-6445 Screening compound: ethyl 6-ethyl-2-[(2-{[4-(2-naphthyl)-2-pyrimidinyl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Y502-6445 Screening compound: ethyl 6-ethyl-2-[(2-{[4-(2-naphthyl)-2-pyrimidinyl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-6445
ethyl 6-ethyl-2-[(2-{[4-(2-naphthyl)-2-pyrimidinyl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-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

Y502-6445

Molecular Formula

C29H29N3O3S2 (C29 H29 N3 O3 S2)

Compound Name

ethyl 6-ethyl-2-[(2-{[4-(2-naphthyl)-2-pyrimidinyl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 6-ethyl-2-(2-{[4-(naphthalen-2-yl)pyrimidin-2-yl]sulfanyl}acetamido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCC(CC1)Cc2c1c(C(OCC)=O)c(NC(CSc1nc(-c3cc4ccccc4cc3)ccn1)=O)s2

InChI

InChI=1S/C29H29N3O3S2/c1-3-18-9-12-22-24(15-18)37-27(26(22)28(34)35-4-2)32-25(33)17-36-29-30-14-13-23(31-29)21-11-10-19-7-5-6-8-20(19)16-21/h5-8,10-11,13-14,16,18H,3-4,9,12,15,17H2,1-2H3,(H,32,33)/t18-/m1/s1

InChI Key

RWZOLHHSOAJPPZ-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.364

Distribution Coefficient, logD

5.340

Water Solubility, LogSw

-6.13

Polar Surface Area

60.767

Acid Dissociation Constant (pKa)

5.38

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.03

Y502-6445 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y502-6445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-6445?
Check Price and Availability of Y502-6445, 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 Y502-6445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-6445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-6445
  • 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 Y502-6445 available by request