Y041-3657 Screening compound: 1-cyclopentyl-3-{[(7E)-2,9-dimethyl-3,5-diphenyl-7H-furo[3,2-g]chromen-7-ylidene]amino}thiourea

Y041-3657 Screening compound: 1-cyclopentyl-3-{[(7E)-2,9-dimethyl-3,5-diphenyl-7H-furo[3,2-g]chromen-7-ylidene]amino}thiourea
Y041-3657 Screening compound: 1-cyclopentyl-3-{[(7E)-2,9-dimethyl-3,5-diphenyl-7H-furo[3,2-g]chromen-7-ylidene]amino}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3657
1-cyclopentyl-3-{[(7E)-2,9-dimethyl-3,5-diphenyl-7H-furo[3,2-g]chromen-7-ylidene]amino}thiourea

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

Y041-3657

Molecular Formula

C31H29N3O2S (C31 H29 N3 O2 S)

Compound Name

1-cyclopentyl-3-{[(7E)-2,9-dimethyl-3,5-diphenyl-7H-furo[3,2-g]chromen-7-ylidene]amino}thiourea

IUPAC name

1-cyclopentyl-3-{[(7E)-29-dimethyl-35-diphenyl-7H-furo[32-g]chromen-7-ylidene]amino}thiourea

SMILES

Cc(oc(c1c2)c(C)c(O3)c2C(c2ccccc2)=C/C3=N\NC(NC2CCCC2)=S)c1-c1ccccc1

InChI

InChI=1S/C31H29N3O2S/c1-19-29-25(17-26-28(20(2)35-30(19)26)22-13-7-4-8-14-22)24(21-11-5-3-6-12-21)18-27(36-29)33-34-31(37)32-23-15-9-10-16-23/h3-8,11-14,17-18,23H,9-10,15-16H2,1-2H3,(H2,32,34,37)

InChI Key

NAPIYTIETQZNQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13969103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.626

Distribution Coefficient, logD

7.626

Water Solubility, LogSw

-5.98

Polar Surface Area

47.677

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.60

Y041-3657 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y041-3657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3657?
Check Price and Availability of Y041-3657, 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 Y041-3657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3657
  • 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 Y041-3657 available by request